Relevant bibliographies by topics / Densità energetica

Academic literature on the topic 'Densità energetica'

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Published: 11 March 2023

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Journal articles on the topic "Densità energetica"

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Yang, Junqing, Xuedong Gong, and Guixiang Wang. "Design of new aliphatic azido nitro compounds as plasticizer: an initial exploration on AFCTEE (1-azido-formic acid 1,1,1-trinitro-ethyl ester)." Canadian Journal of Chemistry 93, no. 7 (July 2015): 690–95. http://dx.doi.org/10.1139/cjc-2014-0565.

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To explore new high-energy azido nitro compounds as plasticizers for propellants, AFCTEE (1-azido-formic acid 1,1,1-trinitro-ethyl ester) was designed and studied using density functional theory. The predicted density of AFCTEE, 1.90 gcm−3, is comparable to that of HMX (1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane) and much higher than that of general organic azido compounds. AFCTEE possesses higher energetic properties and chemical stability than the promising azido nitro plasticizer DAMNP (1,3-diazido-2-methyl-2-nitropropane) and the conventional plasticizer NG (nitroglycerine), and it has a moderate thermal stability. The pyrolysis of AFCTEE starts from the rupture of C–NO2 and then the breakage of N–N2 via Curtius rearrangement. This work is the initial exploration for AFCTEE, aiming at the energetics, spectra (IR, NMR, and UV), stability, and decomposition mechanism. Compared with DAMNP, the advantages of superior energetic properties and chemical stability suggest AFCTEE is a promising energetic azido nitro compound and is worth further investigation.
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Sivy, Kelly J., Anne W. Nolin, Christopher L. Cosgrove, and Laura R. Prugh. "Critical snow density threshold for Dall’s sheep (Ovis dalli dalli)." Canadian Journal of Zoology 96, no. 10 (October 2018): 1170–77. http://dx.doi.org/10.1139/cjz-2017-0259.

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Snow cover can significantly impact animal movement and energetics, yet few studies have investigated the link between physical properties of snow and energetic costs. Quantification of thresholds in snow properties that influence animal movement are needed to help address this knowledge gap. Recent population declines of Dall’s sheep (Ovis dalli dalli Nelson, 1884) could be due in part to changing snow conditions. We examined the effect of snow density, snow depth, and snow hardness on sinking depths of Dall’s sheep tracks encountered in Wrangell–St. Elias National Park and Preserve, Alaska. Snow depth was a poor predictor of sinking depths of sheep tracks (R2 = 0.02, p = 0.38), as was mean weighted hardness (R2 = 0.09, p = 0.07). Across competing models, top layer snow density (0–10 cm) and sheep age class were the best predictors of track sink depths (R2 = 0.58). Track sink depth decreased with increasing snow density, and the snowpack supported the mass of a sheep above a density threshold of 329 ± 18 kg/m3 (mean ± SE). This threshold could aid interpretation of winter movement and energetic costs by animals, thus improving our ability to predict consequences of changing snowpack conditions on wildlife.
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Kingsley, Michael C. S. "The numbers of ringed seals (Phoca hispida) in Baffin Bay and associated waters." NAMMCO Scientific Publications 1 (June 12, 1998): 181. http://dx.doi.org/10.7557/3.2988.

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The size of the population of ringed seals (Phoca hispida) inhabiting Baffin Bay and associated waters was estimated by two methods. An approximate model of the energetics of the polar bear (Ursus maritimus) estimated an energetic need of about 16,000 MJ/bear per year. Modelled estimates of the energetic yield of a ringed seal population showed that a stable standing population of 140-170 ringed seals per bear would be needed to provide that much energy, assuming that all mortalities were due to polar bear predation. This result was sensitive to assumptions about the Field Metabolic Rate (FMR) of the bears and the energetic yield of individual ringed seals, but less sensitive to assumptions about relative incidence of predation on different age classes of seal or the age structure of the polar bear population. Estimated sizes of polar bear populations in Baffin Bay and associated waters (total about 4,025), and of the standing population needed to support an estimated hunter kill of 100,000 yielded a population estimate of, very roughly, 1.2 million ringed seals. Estimates of ice areas and of the density of hauled out seals from aerial surveys were used to generate another approximate figure for the ringed seal population, which was about the same. The density of seals in the pack-ice area of Baffin Bay, which is imperfectly known, has a large influence on the latter estimate.
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Tesema, Fasil, Noora Partamies, Daniel K. Whiter, and Yasunobu Ogawa. "Types of pulsating aurora: comparison of model and EISCAT electron density observations." Annales Geophysicae 40, no. 1 (January 4, 2022): 1–10. http://dx.doi.org/10.5194/angeo-40-1-2022.

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Abstract. Energetic particle precipitation associated with pulsating aurora (PsA) can reach down to lower mesospheric altitudes and deplete ozone. It is well documented that pulsating aurora is a common phenomenon during substorm recovery phases. This indicates that using magnetic indices to model the chemistry induced by PsA electrons could underestimate the energy deposition in the atmosphere. Integrating satellite measurements of precipitating electrons in models is considered to be an alternative way to account for such an underestimation. One way to do this is to test and validate the existing ion chemistry models using integrated measurements from satellite and ground-based observations. By using satellite measurements, an average or typical spectrum of PsA electrons can be constructed and used as an input in models to study the effects of the energetic electrons in the atmosphere. In this study, we compare electron densities from the EISCAT (European Incoherent Scatter scientific radar system) radars with auroral ion chemistry and the energetics model by using pulsating aurora spectra derived from the Polar Operational Environmental Satellite (POES) as an energy input for the model. We found a good agreement between the model and EISCAT electron densities in the region dominated by patchy pulsating aurora. However, the magnitude of the observed electron densities suggests a significant difference in the flux of precipitating electrons for different pulsating aurora types (structures) observed.
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Sączewski, Jarosław, Joanna Fedorowicz, Paulina Wiśniewska, and Maria Gdaniec. "Theoretical and Experimental Insights into the Tandem Mannich—Electrophilic Amination Reaction: Synthesis of Safirinium Dyes." Applied Sciences 11, no. 12 (June 14, 2021): 5498. http://dx.doi.org/10.3390/app11125498.

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Isoxazolo[3,4-b]pyridin-3(1H)-ones are ‘spring-loaded’ compounds that quantitatively react with iminium salts derived from formaldehyde and secondary amines to yield fluorescent Safirinium dyes. The mechanism and energetics of the above tandem Mannich–electrophilic amination reaction have been investigated experimentally and using theoretical methods. The hybrid B3LYP functional with GD3 empirical dispersion and range-separated hybrid functional ωB97XD, both combined with a PCM model, were applied to acquire the energetic profiles of the studied reaction with respect to the structure of secondary amine and isoxazolone used. Diastereoselectivity of the tandem reactions involving iminium salt derived from L-proline has been rationalized theoretically by means of density functional theory calculations.
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Dewar, Roderick C. "Plant energetics and population density." Nature 398, no. 6728 (April 1999): 572. http://dx.doi.org/10.1038/19215.

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Magnani, Federico. "Plant energetics and population density”." Nature 398, no. 6728 (April 1999): 572. http://dx.doi.org/10.1038/19217.

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Enquist, Brian J., James H. Brown, and Geoffrey B. West. "Plant energetics and population density." Nature 398, no. 6728 (April 1999): 573. http://dx.doi.org/10.1038/19219.

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Liu, Y., S. Consta, F. Ogeer, Y. J. Shi, and R. H. Lipson. "Geometries and energetics of methanol–ethanol clusters: a VUV laser/time-of-flight mass spectrometry and density functional theory study." Canadian Journal of Chemistry 85, no. 10 (October 1, 2007): 843–52. http://dx.doi.org/10.1139/v07-104.

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Hydrogen-bonded clusters, formed above liquid methanol (Me) and ethanol (Et) mixtures of various compositions, were entrained in a supersonic jet and probed using 118 nm vacuum ultraviolet (VUV) laser single-photon ionization/time-of-flight mass spectrometry. The spectra are dominated by protonated cluster ions, formed by ionizing hydrogen-bonded MemEtn neutrals, m = 0–4, n = 0–3, and m + n = 2–5. The structures and energetics of the neutral and ionic species were investigated using both the all-atom optimized potential for liquid state, OPLS-AA, and the density functional (DFT) calculations. The energetic factors affecting the observed cluster distributions were examined. Calculations indicate that the large change in binding energy going from trimer to tetramer can be attributed more to pair-wise interactions than to cooperativity effects.Key words: alcohol clusters, cluster formation, DFT calculations, mass spectrometry, vacuum ultraviolet laser.
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Zhao, Dongbo, Shubin Liu, and Dahua Chen. "A Density Functional Theory and Information-Theoretic Approach Study of Interaction Energy and Polarizability for Base Pairs and Peptides." Pharmaceuticals 15, no. 8 (July 28, 2022): 938. http://dx.doi.org/10.3390/ph15080938.

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Using density functional theory (DFT) and the information-theoretic approach (ITA) quantities to appreciate the energetics and properties of biopolymers is still an unaccomplished and ongoing task. To this end, we studied the building blocks of nucleic acid base pairs and small peptides. For base pairs, we have dissected the relative importance of energetic components by using two energy partition schemes in DFT. Our results convincingly show that the exchange-correlation effect predominantly governs the molecular stability of base pairs while the electrostatic potential plays a minor but indispensable role, and the steric effect is trivial. Furthermore, we have revealed that simple density-based ITA functions are in good relationships with molecular polarizabilities for a series of 30 hydrogen-bonded base pairs and all 20 natural α-amino acids, 400 dipeptides, and 8000 tripeptides. Based on these lines, one can easily predict the molecular polarizabilities of larger peptides, even proteins as long as the total molecular wavefunction is available, rather than solving the computationally demanding coupled-perturbed Hartree–Fock (CPHF) equation or its DFT counterpart coupled-perturbed Kohn–Sham (CPKS) equation.
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Dissertations / Theses on the topic "Densità energetica"

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Chieregato, Gianluca. "Indagine dei fattori di degrado e proposte di riqualificazione energetica nelle residenze sociali ad alta densità. Il quartiere Pilastro di Bologna." Doctoral thesis, Università degli studi di Ferrara, 2013. http://hdl.handle.net/11392/2388849.

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The sequence of events that, in Italy, has characterised the development of Social Housing since the Second World War until today has made it necessary to face the renovation of social residential buildings. Despite the short period of time that has elapsed since their construction, the condition of large housing estates built in our country between the 1960s and 1980s are not only largely unfit for purpose but they also present substantial limitations with regards to energy efficiency. In this respect, research has defined a methodology to approach the regeneration of buildings of reference and has assumed some strategies to improve energy efficiency. After outlining the latest developments regarding public and private housing construction both in Italy and in Europe since the post-war period, some representative Italian residential areas with high density living have been analysed taking into particular consideration their most important features. Among these areas, an suitably representative case study has been identified in the “Virgolone” housing development which is located in the Pilastro district of Bologna. In this large housing estate, consisting of more than two thousand units, the technical and architectural features of the three main urban sections have been firstly identified. This sections correspond, in turn, to three periods of construction (1964-1986) whose predominant differences have been highlighted. The variety of housing types, of building systems and of management policies has characterized a diversified development which, depending on the building, has sometimes produced a variety of results in the same housing estate. Defining a strategy for effective renovation necessitates acquiring a preliminary and detailed knowledge of the building of reference, based on an analysis of a multiplicity of elements, in particular of those elements which are most affected by obsolescence and that influence its performance directly. The cognitive survey investigated the performance deficit of technological units which make up the building envelope and assessed the degradation phenomena related to structural and construction features, contextualizing the choices in a given historical moment. This survey has been followed by a critical evaluation of the qualitative analysis carried out and of the instrumental data acquired, which has allowed to focus the attention on the most important problems of the individual residential units and to gain a basic knowledge necessary to undertake the following phase, which consists of defining the possible intervention of renovation. In this regard, the energy consumption of the building has been calculated, comparing it with the energy performance index defined by legislation. The results of this in-depth analysis has contributed to formulating scenarios of intervention through following transformation stages, proposing different project hypotheses for solutions for which assessments of the intervention costs and of the time it would take to have a return on the investment have been calculated.
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Bertoli, Marco. "Analisi della comunità macrozoobentonica e del suo contenuto energetico in una zona umida dell’alto Adriatico (Isola della Cona, GO)." Doctoral thesis, Università degli studi di Trieste, 2013. http://hdl.handle.net/10077/8552.

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2011/2012
Il presente lavoro è stato condotto nella Riserva Naturale della Foce dell’Isonzo, in un'area caratterizzata da un ampio invaso d’acqua dolce, soggetto a prosciugamento in periodo estivo. Lo scopo di questo studio è stato quello di analizzare struttura ed abbondanza della comunità macrozoobentonica e valutare il contenuto energetico dei taxa più rappresentativi, in relazione all’importante ruolo che questa comunità assume da un punto di vista trofico in questi ambienti. I macroinvertebrati bentonici ricoprono tutti i ruoli trofici dei consumatori e sono la componente più importante della dieta di Pesci ed Uccelli limicoli. Sono state scelte 5 stazioni di campionamento sulla base della diversa profondità dell’acqua, diversa copertura vegetale del substrato e diversa durata della fase bagnata. Mensilmente, a partire dal gennaio 2009 fino a ottobre 2012 è stata rilevata la profondità assieme ad alcuni parametri chimico-fisici, quali: ossigeno disciolto (mg l-1), temperatura (°C), pH e conduttività (mS cm-1). I dati evidenziano per la profondità una tendenza inversa rispetto alla temperatura, legata al ciclo stagionale di prosciugamento/riallagamento a cui è soggetta l’area di studio, e tra temperatura e ossigeno disciolto. La conduttività tende ad aumentare in corrispondenza dell’aumento di temperatura in estate, mente il pH si mantiene su valori neutri tendenti leggermente al basico, oscillando entro un range piuttosto ristretto. Durante l’ultimo anno di attività (novembre 2011-ottobre 2012) sono state monitorate le concentrazioni di alcuni nutrienti (mg l-1), quali NH4, NO3, NO2, PO4, all’interno del sedimento. Per tale scopo sono stati prelevati mensilmente campioni di sedimento mediante un carotiere manuale, e stagionalmente campioni a carico della colonna d’acqua. I risultati denunciano un’alta concentrazione di nutrienti, in particolare dei composti dell’azoto, rispetto a quanto atteso in ambienti dilciacquicoli, verosimilmente, in relazione al carico organico dovuto alla presenza dell’avifauna nell’area di studio. Allo scopo di effettuare analisi granulometriche e misurazioni del C organico, nell’inverno ed autunno 2009, sono stati analizzati campioni di sedimento, in collaborazione con il Dipartimento di Matematica e Geoscienze dell’Università di Trieste. Le analisi granulometriche hanno evidenziato in febbraio la presenza di silt sabbioso in tutte le stazioni, ad eccezione della stazione 2, in cui è stato invece rinvenuto silt argilloso. In ottobre anche nelle stazioni 3 e 4 è stato osservato silt argilloso, mentre non vi sono variazioni nelle restanti stazioni. L’analisi del carbonio organico mostra sempre valori simili nei due campionamenti, con valori più alti nella stazione 1 (3,29% in febbraio, 3,93% in ottobre) e più bassi nelle stazioni 2 e 5 (rispettivamente 1,73% e 1,71% in febbraio e 1,18% e 1,14% in ottobre). Per quanto attiene le comunità macrozoobentoniche, sono stati effettuati campionamenti mediante utilizzo di due tecniche: 1) mediante box corer manuale, strumento dotato di un’area di presa definita (289 cm²), che garantisce un campionamento di tipo quantitativo e minimizza le perdite del campione; 2) tramite la tecnica dei pacchetti fogliari che simulano il naturale accumulo di detrito e che permettono di analizzare i processi decompositivi ed i taxa che riescono a colonizzare i pacchetti. I campionamenti che hanno visto l’utilizzo del box corer si sono svolti nell’aprile 2009 e a cavallo tra ottobre e novembre 2009, e hanno visto il prelievo di 6 subcampionamenti per stazione. La determinazione tassonomica si è spinta fino a livello di famiglia o di genere e, per alcuni taxa raccolti nella primavera, a livello di specie, grazie anche alla collaborazione della Dott.ssa Boggero (CNR, Pallanza) e del Prof. Rossaro (Università di Milano). Le campagne di campionamento mediante pacchi fogliari si sono svolte per tre anni consecutivi, dall’autunno 2009 all’estate 2012, durante le stagioni autunnale, primaverile ed estiva. I pacchi sono stati realizzati con foglie di Phragmites australis, raccolte all’interno della Riserva, seguendo il protocollo indicato da Basset et al., 2006. Sono state organizzate tre unità subcampionarie per ogni stazione, messe in posa con evento unico e raccolte a scaglioni (una per stazione) con cadenza quindicinale. Dopo la raccolta i macroinvertebrati sono stati separati immediatamente dalla componente fogliare, in attesa della determinazione che si è spinta allo stesso livello indicato per i campioni raccolti con box-corer. La struttura della comunità macrozoobentonica è risultata esser costituita principalmente da Crostacei (Classe Ostracoda, famiglie Asellidae e Gammaridae), Oligocheti (famiglie Lumbricidae, Tubificidae, Naididae) ed Insetti. Tra questi ultimi il taxon dominante è risultato essere quello dei Ditteri Chironomidi, i quali rappresentano sempre oltre il 90% degli Insetti rinvenuti. Tale strutura di comunità è stata riscontrata, pur variando i rapporti tra le frequenze percentuali dei vari taxa, nelle diverse stagioni, con entrambi i metodi di campionamento. Numerosità e diversità (espressa come numero dei taxa rinvenuti) sono risultate maggiori durante la primavera rispetto all’autunno, sia nei campioni raccolti con box corer che con le trappole trofiche. Sulla base dei pesi dei pacchetti fogliari post periodo di permanenza nelle stazioni sono stati calcolati i tassi di decomposizione della sostanza organica vegetale (gg-1), utilizzando il modello di Olson (1963). Il modello è stato trasformato da esponenziale a lineare e sono stati effettuati dei confronti a livello inter- e intrastagionale mediante analogo dell’ ANCOVA. La pianificazione del protocollo di campionamento è stata organizzata con la collaborazione con il Dipartimento di Scienze e Tecnologie Biologiche e Ambientali dell’Università degli Studi del Salento. Il tasso di decomposizione della sostanza organica vegetale è risultato esser compreso tra 0,0066 e 0,0075 gg-1 in autunno e tra 0,0108 e 0,0158 gg-1 in primavera. I confronti hanno permesso di mettere in evidenza differenze significative tra i tassi di decomposizione autunnale e primaverile per ogni anno di attività (p>0,05). Non sono state osservate differenze significative tra i tassi autunnali, mentre tali differenze sono sempre emerse a livello della stagione primaverile (p<0,0001). Le campagne di campionamento estive non sono state completate con successo a causa del prosciugamento dell’area, per cui non è stato possibile effettuare paragoni. Confronti intra stagionali non hanno evidenziato (salvo due eccezioni) differenze tra le stazioni (p>0,05). Si può concludere quindi che il sistema degrada la sostanza organica vegetale alla stessa velocità in ogni sua parte nelle stagioni esaminate. Per i taxa per cui numerosità e peso secco lo hanno reso possibile, (Ditteri Chironimidi appartenenti alla tribù dei Chironomini e due famiglie di Crostacei: Gammaridae e Asellidae) sono state effettuate misure a carico della densità energetica ED (cal g-1, peso secco). I taxa sono stati trattati in stufa a 60 °C per 72 ore e in seguito polverizzati. Con il materiale ottenuto sono state prodotte delle pastiglie in seguito processate in un calorimetro adiabatico a bomba Parr 1425 (Parr Instrument Company, U.S.A.). I valori ottenuti sono stati confrontati (quando possibile) mediante statistica non parametrica (test di Kruskal e Wallis per i Chironomini e test U di Mann e Whitney per i Gammaridae), allo scopo di indagare differenze stagionali tra i valori di ogni taxon. Le misure sono state effettuate presso il Dipartimento di Scienze e Tecnologie Biologiche e Ambientali dell’Università degli Studi del Salento. I valori di densità energetica per la tribù dei Chironomini sono risultati esser compresi tra 3398,7 cal g-1 (valore autunnale) e 3483,6 cal g-1 (valore primaverile), mentre per i Gammaridae i valori sono risultati pari a 3863,7 cal g-1 in primavera e 40008,6 cal g-1 in autunno. Il valore della densità energetica per il taxon degli Asellidi è risultato pari a 3856,1 cal g-1 . Non è stato possibile evidenziare differenze significative a livello stagionale né per i Chironomini né per i Gammaridae. Per la tribù dei Chironomini e la famiglia dei Gammaridae sono state costruite curve di regressione lunghezza/peso secco. Per tale scopo è stata rilevata la lunghezza L (mm) ed è stato misurato o stimato il peso secco DW (g) per almeno 50 esemplari per ciascun taxon. Dall’analisi delle comunità macrozoobentoniche osservate all’interno del Ripristino emerge come il sistema rappresentato da quest’area sia assimilabile a una sorta di “laboratorio naturale” che torna praticamente a una condizione di “zero” a seguito del prosciugamento che avviene durante i mesi estivi. Al termine della fase secca, segue una fase di riallagamento, che si completa durante la stagione autunnale, con conseguente ricolonizzazione dei microhabitat da parte dei macroinvertebrati. La ricolonizzazione porta però a strutture di popolazione che possono essere ben diverse da quelle osservate in precedenza. Si può quindi affermare che il Ripristino è un sistema in uno stato di “perenne ricolonizzazione”. Questa conclusione è ulteriormente supportata dall’analisi dei tassi di decomposizione, i quali sono risultati esser praticamente identici nella stagione autunnale (a seguito dell’azzeramento del sistema) e sempre diversi in primavera, variando di anno in anno. I risultati fin qui ottenuti, forniscono nuove conoscenze riguardo ad aspetti finora poco studiati nell’area di studio (tassi di decomposizione della sostanza organica vegetale e densità energetice dei macroinvertebrati bentonici), e supportano la teoria secondi cui il mondo ecologico è un mondo di “non-equilibrio”, in cui i fenomeni di disturbo sono comuni e possono esser sempre diversi di volta. Questi fenomeni, possono portare a direzioni non facilmente prevedibili, e ogni ecosistema è dunque unico, irriproducibile e intendibile come fenimeno pro tempore.
XXIV Ciclo
1976
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Conroy, Michael W. "Density Functional Theory Studies of Energetic Materials." Scholar Commons, 2009. http://scholarcommons.usf.edu/etd/3691.

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First-principles calculations employing density functional theory (DFT) were performed on the energetic materials PETN, HMX, RDX, nitromethane, and a recently discovered material, nitrate ester 1 (NEST-1). The aims of the study were to accurately predict the isothermal equation of state for each material, improve the description of these molecular crystals in DFT by introducing a correction for dispersion interactions, and perform uniaxial compressions to investigate physical properties that might contribute to anisotropic sensitivity. For each system, hydrostatic-compression simulations were performed. Important properties calculated from the simulations such as the equilibrium structure, isothermal equation of state, and bulk moduli were compared with available experimental data to assess the agreement of the calculation method. The largest contribution to the error was believed to be caused by a poor description of van der Waals (vdW) interactions within the DFT formalism. An empirical van der Waals correction to DFT was added to VASP to increase agreement with experiment. The average agreement of the calculated unit-cell volumes for six energetic crystals improved from approximately 9% to 2%, and the isothermal EOS showed improvement for PETN, HMX, RDX, and nitromethane. A comparison was made between DFT results with and without the vdW correction to identify possible advantages and limitations.  Uniaxial compressions perpendicular to seven low-index crystallographic planes were performed on PETN, HMX, RDX, nitromethane, and NEST-1. The principal stresses, shear stresses, and band gaps for each direction were compared with available experimental information on shock-induced sensitivity to determine possible correlations between physical properties and sensitivity. The results for PETN, the only system for which the anisotropic sensitivity has been thoroughly investigated by experiment, indicated a possible correlation between maximum shear stress and sensitivity. The uniaxial compressions that corresponded to the greatest maximum shear stresses in HMX, RDX, solid nitromethane, and NEST-1 were identified and predicted as directions with possibly greater sensitivity. Experimental data is anticipated for comparison with the predictions.
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Hall, S. M. "The energetics of star-disc encounters and disc density profiles." Thesis, University of Cambridge, 1997. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.599855.

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This thesis investigates the response of a circumstellar accretion disc to the fly-by of a perturbing mass on a parabolic orbit, both with and without the presence of dissipation. Observed protostellar number densities and velocity dispersions imply that collisions between protostellar systems are likely during the pre-main sequence phase of their evolution. Observations of the Orion Nebula have revealed 'truncated' discs and with this in mind the post-encounter material distributions are examined and are found to be promising candidates for the observed systems. Finally, the isolated evolution of the disc remnants are studied with a view to studying the motions of 'precessing' or 'wandering' jets.
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Sovago, Ioana. "Towards understanding the energetics in polymorphs through charge density studies." Thesis, University of Glasgow, 2013. http://theses.gla.ac.uk/3885/.

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The detailed study of the structure and electron density distributions of polymorphic and phase transition materials is presented. Understanding and predicting the appearance of polymorphism and phase transitions in organic and organometallic materials is of considerable interest in fields such as pharmaceutical science, solid-state chemistry, and materials science. However, the small lattice energy difference between the different molecular conformations and packing between these materials are often particularly challenging in this area. Consequently, obtaining the most accurate description of the atomic positions and the electronic distributions plays an extremely important role in obtaining the best estimation of the lattice energies. In the present work,high-resolution X-ray diffraction as well as neutron diffraction tehniques have been used in reaching these aims. For minimizing the data collection times, synchrotron sources were also used for obtaining X-ray diffraction data, including Diamond, I19 beam line and Soleil, CRYSTAL beam line. Molecular complexes of lutidine isomers and chloranilic acid are also studied, in both 1:1 and 2:1 ratios, in order to investigate their relative stabilities through hydrogen bond contributions towards stabilising stoichiometrically different ‘compositional polymorphs’. The energy stability rankings in small organic molecules and transition metal complexes which exhibit polymorphism or displacive phase transitions are calculated using experimental charge density and fully theoretical approaches. The effect of the hydrogen bonds in the rank stabilities is also investigated. The pharmaceutical sulfathiazole and piracetam compounds are identified to have very small lattice energy differences between the polymorphs studied and the ranking stability orders are not maintained in the approaches used. Studies of the coordination complex [Ni(en)3]2+(NO3-)2 show that, contrary to expectation, the higher temperature phase is calculated to be the most stable one, showing the strongest intermolecular interaction energies. Overall, the presented studies show that current methodologies for estimating solid state lattice energies, even using high quality diffraction data and complex modeling of the electron density, are not sufficiently accurate to allow reliable estimation of polymorph energy differences. The results obtained for all studied polymorphic and phase transition materials using the experimental charge density approach show a high dependence of the lattice energies on the multipole model used.
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Gambini, Laura. "Expansion of the magnetic flux density field in toroidal harmonics." Master's thesis, Alma Mater Studiorum - Università di Bologna, 2018.

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This study investigates the multipolar expansion of the magnetic flux density in toroidal harmonics, with the main purpose of identifying a valid procedure for the calculation of the multipole coefficients. Because of the analytical complexities introduced by the toroidal coordinates system, numerous verifications are necessary to validate the expressions of the magnetic flux density components. The methodology developed for the evaluation of the multipole coefficients is based on fitting procedures. The only requirement for the application of this technique is the knowledge of the magnetic flux density values (or of the scalar potential) in defined points of a toroidal shape surface. Furthermore, a possible numerical strategy is introduced for the acquisition of the magnetic flux density values on the points of the mentioned grid.
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Conroy, Michael W. "First-principles studies of energetic materials." [Tampa, Fla.] : University of South Florida, 2007. http://purl.fcla.edu/usf/dc/et/SFE0002276.

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Manuel, Mario John-Errol. "Characterization of mono-energetic charged-particle radiography for high energy density physics experiments." Thesis, Massachusetts Institute of Technology, 2008. http://hdl.handle.net/1721.1/45302.

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Thesis (S.M.)--Massachusetts Institute of Technology, Dept. of Aeronautics and Astronautics, 2008.
Includes bibliographical references (p. 75-76).
Charged-particle radiography, specifically protons and alphas, has recently been used to image various High-Energy-Density Physics objects of interest, including Inertial Confinement Fusion capsules during their implosions, Laser-Plasma Interactions, and Rayleigh-Taylorinstability growth. An imploded D23He-filled glass capsule - the backlighter - provides monoenergetic 15-MeV and 3-MeV protons and 3.6-MeV alphas for radiographing these various phenomena. Because the backlighter emits mono-energetic particles, information about areal density and electromagnetic fields in imaged systems can be obtained simultaneously. One of the most important characteristics of the backlighter is the fusion product yield, so understanding the experiment parameters that affect it is essential to the future of chargedparticle radiography. Empirical studies of backlighter performance under a variety of conditions are presented, along with proton yield parameterizations based on backlighter and laser parameters. In order to investigate the limits and capabilities of this diagnostic, the Geant4 Transport Toolkit is introduced as the supplementary simulation tool to accompany this novel diagnostic; benchmark simulations with experimental data are presented.
by Mario John-Errol Manuel.
S.M.
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Palmer, Prem. "Structure, Energetics and Reactions of Bisketenes: An Ab Initio and Density Functional Theory Study." Thesis, University of North Texas, 1997. https://digital.library.unt.edu/ark:/67531/metadc501272/.

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The effect of varying substituents on structure and energies of bisketenes was studied using ab initio methods. Effect of substituents on ring closing reaction of bisketenes to the corresponding cyclobutenediones was also studied using ab initio methods. One or two of the following substituents were used to study the effect of varying substituents: BH2, CH3, NH2, OH, F, AlH2, SiH3, PH2, SH, Cl. Studies were done at the Hartree-Fock (HF), Møller-Plesset (MP2), and Density Functional Theory (B3LYP) levels of theory using the 6-31G* basis set.
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Laury, Marie L. "Accurate and Reliable Prediction of Energetic and Spectroscopic Properties Via Electronic Structure Methods." Thesis, University of North Texas, 2013. https://digital.library.unt.edu/ark:/67531/metadc500071/.

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Computational chemistry has led to the greater understanding of the molecular world, from the interaction of molecules, to the composition of molecular species and materials. Of the families of computational chemistry approaches available, the main families of electronic structure methods that are capable of accurate and/or reliable predictions of energetic, structural, and spectroscopic properties are ab initio methods and density functional theory (DFT). The focus of this dissertation is to improve the accuracy of predictions and computational efficiency (with respect to memory, disk space, and computer processing time) of some computational chemistry methods, which, in turn, can extend the size of molecule that can be addressed, and, for other methods, DFT, in particular, gain greater insight into which DFT methods are more reliable than others. Much, though not all, of the focus of this dissertation is upon transition metal species – species for which much less method development has been targeted or insight about method performance has been well established. The ab initio approach that has been targeted in this work is the correlation consistent composite approach (ccCA), which has proven to be a robust, ab initio computational method for main group and first row transition metal-containing molecules yielding, on average, accurate thermodynamic properties, i.e., within 1 kcal/mol of experiment for main group species and within 3 kcal/mol of experiment for first row transition metal molecules. In order to make ccCA applicable to systems containing any element from the periodic table, development of the method for second row transition metals and heavier elements, including lower p-block (5p and 6p) elements was pursued. The resulting method, the relativistic pseudopotential variant of ccCA (rp-ccCA), and its application are detailed for second row transition metals and lower p-block elements. Because of the computational cost of ab initio methods, DFT is a popular choice for the study of transition metals. Despite this, the most reliable density functionals for the prediction of energetic properties (e.g. enthalpy of formation, ionization potential, electron affinity, dissociation energy) of transition metal species, have not been clearly identified. The examination of DFT performance for first and second row transition metal thermochemistry (i.e., enthalpies of formation) was conducted and density functionals for the study of these species were identified. And, finally, to address the accuracy of spectroscopic and energetic properties, improvements for a series of density functionals have been established. In both DFT and ab initio methods, the harmonic approximation is typically employed. This neglect of anharmonic effects, such as those related to vibrational properties (e.g. zero-point vibrational energies, thermal contributions to enthalpy and entropy) of molecules, generally results in computational predictions that are not in agreement with experiment. To correct for the neglect of anharmonicity, scale factors can be applied to these vibrational properties, resulting in better alignment with experimental observations. Scale factors for DFT in conjunction with both the correlation and polarization consistent basis sets have been developed in this work.
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Books on the topic "Densità energetica"

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Temperley, David. Strategies. Oxford University Press, 2018. http://dx.doi.org/10.1093/oso/9780190653774.003.0009.

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Strategies are recurrent structural patterns that combine the musical dimensions explored in previous chapters—key/tonality, harmony, melody, rhythm/meter, phrase structure, timbre, form—for structural or expressive effect. One set of strategies concerns the boundary between the first VCU (verse-chorus unit) and the second; here there often seems to be an effort to balance continuity and closure. Another set of strategies involves the IV chord, which is used in rather specific ways to achieve cadential effects. VCUs often reflect an overall trajectory of tension, either “middle-peaking” or “end-peaking,” through increased rhythmic density, phrasal irregularity, and emphasis of non-tonic harmonies. Other strategies may be used to shape the energetic or tensional trajectory of a song as a whole. Finally, shifts in scale or tonal center can contribute greatly to the expressive impact of a song.
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Mills, Gus, and Margaret Mills. Kalahari Cheetahs. Oxford University Press, 2017. http://dx.doi.org/10.1093/oso/9780198712145.001.0001.

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This book demonstrates how cheetahs are adapted to arid savannahs like the southern Kalahari, and makes comparisons with other areas, especially the Serengeti. Topics dealt with are: demography and genetic status; feeding ecology, i.e. methods used for studying diet, diets of different demographic groups, individual diet specializations of females, prey selection, the impact of cheetah predation on prey populations, activity regimes and distances travelled per day, hunting behaviour, foraging success and energetics; interspecific competition; spatial ecology; reproductive success and the mating system; and conservation. The major findings show that cheetahs are well adapted to arid ecosystems and are water independent. Cheetah density in the study area was stable at 0.7/100 km2 and the population was genetically diverse. Important prey were steenbok and springbok for females with cubs, gemsbok, and adult ostrich for coalition males, and steenbok, springhares, and hares for single animals. Cheetahs had a density-dependent regulatory effect on steenbok and springbok populations. Females with large cubs had the highest overall food intake. Cheetahs, especially males, were often active at night, and competition with other large carnivores, both by exploitation and interference, was slight. Although predation on small cubs was severe, cub survival to adolescence was six times higher than in the Serengeti. There was no difference in reproductive success between single and coalition males. The conservation priority for cheetahs should be to maintain protected areas over a spectrum of landscapes to allow ecological processes, of which the cheetah is an integral part, to proceed unhindered.
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Book chapters on the topic "Densità energetica"

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Schneider, Wolfgang J. "Mutant Receptors for Low Density Lipoprotein in Familial Hypercholesterolemia." In Membrane Receptors, Dynamics, and Energetics, 107–16. Boston, MA: Springer US, 1987. http://dx.doi.org/10.1007/978-1-4684-5335-5_8.

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Ziegler, Tom, and Vincenzo Tschinke. "Density Functional Theory as a Practical Tool in Organometallic Energetics and Dynamics." In Density Functional Methods in Chemistry, 139–54. New York, NY: Springer New York, 1991. http://dx.doi.org/10.1007/978-1-4612-3136-3_10.

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Ziegler, Tom. "A Guide to Density Functional Theory and its Practical Applications to the Energetics of Organometallic Species." In Energetics of Organometallic Species, 357–85. Dordrecht: Springer Netherlands, 1992. http://dx.doi.org/10.1007/978-94-011-2466-9_19.

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Constantin, C., W. Gekelman, P. Pribyl, E. Everson, D. Schaeffer, N. Kugland, R. Presura, et al. "Collisionless interaction of an energetic laser produced plasma with a large magnetoplasma." In High Energy Density Laboratory Astrophysics 2008, 155–59. Dordrecht: Springer Netherlands, 2009. http://dx.doi.org/10.1007/978-90-481-9999-0_27.

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Allinger, N. L. "Heats of Formation by Density Functional Theory Calculations." In Energetics of Stable Molecules and Reactive Intermediates, 417–30. Dordrecht: Springer Netherlands, 1999. http://dx.doi.org/10.1007/978-94-011-4671-5_18.

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Fliszar, S. "On the Xα Local Spin Density Approximation in the Study of Organic Molecules." In Chemistry and Physics of Energetic Materials, 131–41. Dordrecht: Springer Netherlands, 1990. http://dx.doi.org/10.1007/978-94-009-2035-4_6.

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Harvey, Jeremy N. "DFT Computation of Relative Spin-State Energetics of Transition Metal Compounds." In Principles and Applications of Density Functional Theory in Inorganic Chemistry I, 151–84. Berlin, Heidelberg: Springer Berlin Heidelberg, 2004. http://dx.doi.org/10.1007/b97939.

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Vitos, L., J. Kollár, and H. L. Skriver. "Energetics of the Light Actinides in a Full Charge Density Scheme." In Stability of Materials, 393–99. Boston, MA: Springer US, 1996. http://dx.doi.org/10.1007/978-1-4613-0385-5_30.

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Olivier, James P. "The Determination of Surface Energetic Heterogeneity Using Model Isotherms Calculated by Density Functional Theory." In The Kluwer International Series in Engineering and Computer Science, 699–707. Boston, MA: Springer US, 1996. http://dx.doi.org/10.1007/978-1-4613-1375-5_87.

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Ziesche, Paul. "Energetics of Solid Surfaces: Clusters and Anticlusters, Generalized Liquid-Drop Model, Energy Density, Stress Field, and Rigorous Theorems." In NATO ASI Series, 559–77. Boston, MA: Springer US, 1995. http://dx.doi.org/10.1007/978-1-4757-9975-0_23.

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Conference papers on the topic "Densità energetica"

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Milchberg, H. M., and R. R. Freeman. "Measurement of Electron Temperature in Hot, Solid Density Plasmas." In High-Energy Density Physics with Subpicosecond Laser Pulses. Washington, D.C.: Optica Publishing Group, 1989. http://dx.doi.org/10.1364/hpslp.1989.w2.

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The interaction of ultrashort energetic light pulses with solids is of great interest both as a source of picosecond timescale X-ray pulses1 and as a new and interesting regime of plasma and solid state physics.2,3
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Robey, R. E., J. S. Pope, O. Y. Vorobiev, S. M. Torres, M. J. Hargather, J. Kimberley, and D. Mann. "Fracture Detection of Lab-Scale Energetic Stimulation." In 56th U.S. Rock Mechanics/Geomechanics Symposium. ARMA, 2022. http://dx.doi.org/10.56952/arma-2022-2051.

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ABSTRACT: Stimulation of lab-scale boreholes was studied using small explosives for improving the development of fracture networks in engineered rock surrogates. The experimental series examines the confluence of initial stress states, orientation of induced discontinuities, and their interaction with source generated fracture growth. Density and stress response to the energetic was measured using high-speed schlieren imaging through the transparent polymethyl methacrylate (PMMA) sample. Outer surfaces were instrumented with an acoustic emissions array to detect 3D location of fracture evolution between wellbores. Prior to testing, the experiments were simulated to predict the generation of a shock-induced fracture network between single and multiple wellbores in a variety of stress states. The quantification of wave arrivals, fracture growth, and development of the fracture network in transparent PMMA material is used as further validation against computational models. Understanding the conditions under which fractures propagate in the multivariate environment with small energetics results in improved modeling capability of larger scale wellbores and sources. The present work is part of a broader effort to improve the accuracy of computational models necessary to predict formation interconnectivity established with energetics in low permeability reservoirs typical of enhanced geothermal systems. 1. INTRODUCTION Acoustic emission (AE) sensing has become a pertinent technology to observe flaws in a variety of media. Investigators can use arrays of omni-directional probes to observe energy radiating in the form of compression waves released from fracture tips, voids or features as they are distorted under load. Patterns in radiated energy may be correlated to spatial-temporal formation of microfractures. This method has been applied to the field of geomechanics where fractures grow due to an induced stress state, or when energy is radiated from an existing feature such as a slip plane. In this study, stress was induced for the purposes of studying lab-scale stimulation of geothermal wellbores using energetic sources so that computational models could be further informed by the acoustic emissions of fractures driven by energetics.
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Hunt, Emily M., and Michelle L. Pantoya. "Impact Sensitivity of Variable Density Composite Energetic Materials." In 2008 MRS Fall Meetin. Materials Research Society, 2008. http://dx.doi.org/10.1557/proc-1137-ee11-03.

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Hunt, Emily M., and Matt Jackson. "Coating and Characterization of Energetic Materials." In ASME 2010 International Mechanical Engineering Congress and Exposition. ASMEDC, 2010. http://dx.doi.org/10.1115/imece2010-38695.

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This project develops a method of manufacturing Plastic Bonded Explosives by using use precision control of agglomeration and coating of energetic powders. The energetic material coating process entails suspending either wet or dry energetic powders in a stream of inert gas and contacting the energetic powder with atomized droplets of a lacquer composed of binder and organic solvent. By using a high velocity air stream to pneumatically convey the energetic powders and droplets of lacquer, the energetic powders are efficiently wetted while agglomerate drying begins almost immediately. The result is an energetic powder uniformly coated with binder; i.e., a PBX, with a high bulk density suitable for pressing. Experiments have been conducted using mock explosive materials to examine coating effectiveness and density. Energetic materials are now being coated and will be tested both mechanically and thermally. This allows for a comprehensive comparison of the morphology and reactivity of the newly coated materials to previously manufactured materials.
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Elsayed-Ali, Hani E. "Hot Electron Relaxation in Metals." In High-Energy Density Physics with Subpicosecond Laser Pulses. Washington, D.C.: Optica Publishing Group, 1989. http://dx.doi.org/10.1364/hpslp.1989.w7.

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When a metal is subjected to a transient event (femtosecond lasers, a fast electrical current, or energetic charged particles), energy is initially coupled to the electron gas. Hot electrons then transfer their energy to the lattice by inelastic collisions or exit the surface of the metal by a single-photon or a multi-photon photoemission (Fig. 1). For conditions discussed here, energy loss by photoemission is significantly smaller than that due to inelastic collisions so that it can be neglected. The possibility of creating nonequilibrium heating conditions where hot electrons can be generated in metals during the passage of ionizing radiation was postulated many years ago.1 The advent of ultrafast lasers has made accessible the generation and the study of such a nonequilibrium state.
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Ni Zhao, Daomin Min, Shengtao Li, and Xiaoquan Zheng. "Internal charging in low density polyethylene irradiated by energetic electrons." In 2012 IEEE 10th International Conference on the Properties and Applications of Dielectric Materials (ICPADM). IEEE, 2012. http://dx.doi.org/10.1109/icpadm.2012.6318936.

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JASINSKAS, Algirdas, Egidijus ŠARAUSKIS, Asta GUTAUTAITĖ, and Jiří MAŠEK. "ASSESSMENT OF HERBAL PLANT BIOFUEL PELLET QUALITY INDICATORS." In Rural Development 2015. Aleksandras Stulginskis University, 2015. http://dx.doi.org/10.15544/rd.2015.008.

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Variety of vegetable raw materials is used for energetic needs: logging and wood processing waste, agricultural production by-products: straws as well as specially cultivated trees, tall grass, rapeseeds, triticale and other herbaceous plants. In the performed scientific work, preparation and opportunities of use of energetic needs are estimated for non-conventional energy plants (elephant grass, orchard grass, common mugwort and fibrous nettle), technological parameters of processing these seeds and pressing into granules are explored, biometric and physic-mechanical properties of finished pellets are evaluated, and their resistance to impact forces is evaluate. Having examined humidity of pellets, it was found that maximum moisture content was in pellets of elephant grass and nettle – from 13.1 to 13.2%, while the smallest – in orchard grass pellets 10.0%. The largest density of non-conventional energetic pellet density was orchard – 983.8 kg m-3 DM (dry matter) and common mugwort – 926.7 kg m-3 DM, and density of elephant grass pellets was the lowest – 619.3 kg m-3 DM. Results on resistance to deformability of non-conventional energetic crops granules indicate that the highest resistance against external forces is a pellet made of common mugwort: they decompose to 110.03 N force. Pellets of other plants disintegrate to smaller external force: fibrous nettle granules – to 90.6 N, orchard – to 67.3 N force. Elephant grass pellets have the smallest resistance to deformation and decompose more quickly (at 20 N). The research results show that pellets made of elephant grass are of the lowest quality; due to this, it is not recommended to use these plants in the form of pellets.
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Pana, Leon. "EVALUATION THE OPTIMAL ENERGETIC SECTION AND CURRENT DENSITY OF ELECTRIC DISTRIBUTION NETWORK CONDUCTORS." In 18th International Multidisciplinary Scientific GeoConference SGEM2018. Stef92 Technology, 2018. http://dx.doi.org/10.5593/sgem2018/2.1/s07.047.

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Jackson, Thomas L., Antoine M. D. Jost, Ju Zhang, Prashanth Sridharan, and Guilherme Amadio. "Three-dimensional mesoscale simulations of detonation initiation in energetic materials with density-based kinetics." In SHOCK COMPRESSION OF CONDENSED MATTER - 2017: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter. Author(s), 2018. http://dx.doi.org/10.1063/1.5044893.

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Duyet, Tran Ngoc, Hiroki Ishikuro, Yi Shi, Takuya Saraya, Makoto Takamiya, and Toshiro Hiramoto. "Measurement of Energetic and Lateral Distribution of Interface State Density in FD SOI MOSFETs." In 1998 International Conference on Solid State Devices and Materials. The Japan Society of Applied Physics, 1998. http://dx.doi.org/10.7567/ssdm.1998.b-8-5.

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Reports on the topic "Densità energetica"

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Brundage, Aaron, Charles Alexander, and William Reinhart. Modeling Shock-Driven Reaction in Low-Density Non-energetic polymeric materials. Office of Scientific and Technical Information (OSTI), November 2016. http://dx.doi.org/10.2172/1762034.

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Albert, F., S. Anderson, D. Gibson, C. Hagmann, M. Johnson, M. Messerly, V. Semenov, et al. Isotope-specific detection of low density materials with mono-energetic (gamma)-rays. Office of Scientific and Technical Information (OSTI), March 2009. http://dx.doi.org/10.2172/950644.

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Thadhani, Naresh, and Joe Cochran. High-Energy-Density LCA-Coupled Structural Energetic Materials for Counter WMD Applications. Fort Belvoir, VA: Defense Technical Information Center, April 2014. http://dx.doi.org/10.21236/ada603899.

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Wong, A. Y., and B. S. Bauer. Energetic particle production, cavition formation, and nonlinear development at a plasma density maximum. Office of Scientific and Technical Information (OSTI), September 1990. http://dx.doi.org/10.2172/6224237.

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Schubmehl, M. An analysis of the uncertainty in temperature and density estimates from fitting model spectra to data. 1998 summer research program for high school juniors at the University of Rochester`s Laboratory for Laser Energetics: Student research reports. Office of Scientific and Technical Information (OSTI), March 1999. http://dx.doi.org/10.2172/362529.

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