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Статті в журналах з теми "Quantum-Continuum Modeling"
Perez, Alejandro, Salvatore Ribisi, and Sami Viollet. "Modeling Quantum Particles Falling into a Black Hole: The Deep Interior Limit." Universe 9, no. 2 (January 31, 2023): 75. http://dx.doi.org/10.3390/universe9020075.
Повний текст джерелаGóamez-Jeria, J. S., J. Parra-Mouchet, and D. Morales-Lagos. "Quantum-Chemical modeling of catecholamine storage including continuum solvent effects." International Journal of Quantum Chemistry 40, no. 3 (September 1991): 299–304. http://dx.doi.org/10.1002/qua.560400303.
Повний текст джерелаZolochevsky, Alexander, Sophia Parkhomenko, and Alexander Martynenko. "Quantum, molecular and continuum modeling in nonlinear mechanics of viruses." 44, no. 44 (April 13, 2022): 5–34. http://dx.doi.org/10.26565/2313-6693-2022-44-01.
Повний текст джерелаROTKIN, SLAVA V., VAISHALI SHRIVASTAVA, KIRILL A. BULASHEVICH, and N. R. ALURU. "ATOMISTIC CAPACITANCE OF A NANOTUBE ELECTROMECHANICAL DEVICE." International Journal of Nanoscience 01, no. 03n04 (June 2002): 337–46. http://dx.doi.org/10.1142/s0219581x02000279.
Повний текст джерелаSHAFEI, SHORESH, and MARK G. KUZYK. "THE EFFECT OF EXTREME CONFINEMENT ON THE NONLINEAR-OPTICAL RESPONSE OF QUANTUM WIRES." Journal of Nonlinear Optical Physics & Materials 20, no. 04 (December 2011): 427–41. http://dx.doi.org/10.1142/s0218863511006224.
Повний текст джерелаNorjmaa, Gantulga, Gregori Ujaque, and Agustí Lledós. "Beyond Continuum Solvent Models in Computational Homogeneous Catalysis." Topics in Catalysis 65, no. 1-4 (November 16, 2021): 118–40. http://dx.doi.org/10.1007/s11244-021-01520-2.
Повний текст джерелаJirauschek, Christian, Alpar Matyas, and Paolo Lugli. "Modeling bound-to-continuum terahertz quantum cascade lasers: The role of Coulomb interactions." Journal of Applied Physics 107, no. 1 (January 2010): 013104. http://dx.doi.org/10.1063/1.3276160.
Повний текст джерелаCédola, A. P., D. Kim, A. Tibaldi, M. Tang, A. Khalili, J. Wu, H. Liu, and F. Cappelluti. "Physics-Based Modeling and Experimental Study of Si-Doped InAs/GaAs Quantum Dot Solar Cells." International Journal of Photoenergy 2018 (2018): 1–10. http://dx.doi.org/10.1155/2018/7215843.
Повний текст джерелаSzefer, G., and D. Jasińska. "Modeling of strains and stresses of material nanostructures." Bulletin of the Polish Academy of Sciences: Technical Sciences 57, no. 1 (March 1, 2009): 41–46. http://dx.doi.org/10.2478/v10175-010-0103-6.
Повний текст джерелаZhang, Yang, Trithep Devakul, and Liang Fu. "Spin-textured Chern bands in AB-stacked transition metal dichalcogenide bilayers." Proceedings of the National Academy of Sciences 118, no. 36 (September 2, 2021): e2112673118. http://dx.doi.org/10.1073/pnas.2112673118.
Повний текст джерелаДисертації з теми "Quantum-Continuum Modeling"
Codony, David. "Mathematical and computational modeling of flexoelectricity at mesoscopic and atomistic scales." Doctoral thesis, Universitat Politècnica de Catalunya, 2021. http://hdl.handle.net/10803/671925.
Повний текст джерелаAquesta tesi doctoral es centra en el desenvolupament de models matemàtics i computacionals per a la flexoelectricitat, un acoblament electromecànic relativament nou que es present en qualsevol material dielèctric a les escales microscòpica i nanoscòpica. El treball s'emmarca tant en el context de la mecànica del medi continu com de la mecànica quàntica, i explora l'espai entre aquestes dues disciplines. Per una banda, s'estudien els models matemàtics de l¿'efecte flexoelèctric mitjançant la mecànica del medi continu, i es desenvolupen tècniques computacionals necessàries per la resolució numèrica dels problemes de valor de contorn associats. La nova infraestructura computacional desenvolupada en aquest treball és capaç de predir el rendiment de dispositius funcionals per a la transducció electromecànica a la nanoescala, on la flexoelectricitat és sempre present, sense cap tipus de limitació en quant a geometria, propietats materials, condicions de contorn o no-linearitat. Els exemples numèrics en aquest document demostren que la flexoelectritat es pot aprofitar de diverses maneres per tal de desenvolupar aplicacions nanotecnològiques innovadores. Per altra banda, el efecte flexoelèctric es estudiat també a nivell atomístic mitjançant la mecànica quàntica. Aquest treball proposa una metodologia nova per quantificar les propietats flexoelèctriques de materials dielèctrics, connectant les simulacions atomístiques amb els models continus proposats. El mètode desenvolupat clarifica un tema controvertit en la comunitat de la teoria del funcional de la densitat (DFT), on els càlculs teòrics estan típicament en desacord entre ells. Les simulacions atomístiques no només serveixen per calcular els paràmetres flexoelèctrics dels materials considerats en models continus, sinó també per validar les hipòtesis en les quals es basen en relació amb les físiques rellevants a la nanoescala.
Torsello, Mauro. "Structural and dynamic modeling of molecular systems at different length scales." Doctoral thesis, Università degli studi di Padova, 2016. http://hdl.handle.net/11577/3424405.
Повний текст джерелаLa continua crescita della potenza di calcolo, in termini di risorse hardware e software, ha reso l'approccio computazionale (in-silico) ai complessi problemi scientifici, uno strumento molto conveniente che permette di ottenere informazioni utili al fine di affiancare, interpretare ed, in alcuni casi, addirittura riprodurre i dati sperimentali a partire da principi primi. I metodi sono stati resi più veloci ed efficienti negli ultimi vent'anni, grazie anche allo sviluppo di algoritmi sempre più efficienti, in grado di sfruttare al meglio la potenza computazionale racchiusa nelle nuove soluzioni hardware (ad esempio architetture parallele basate sulle GPU), e di fornire pacchetti software di semplice utilizzo per molteplici applicazioni. Al giorno d'oggi l'approccio computazionale è impiegato in numerose aree scientifiche, che spaziano tra le più disparate discipline applicate come medicina, ingegneria, chimica, fisica, scienze dei materiali e molte altre. In particolare in questo lavoro di tesi, alcuni degli approcci della chimica computazionale quali meccanica quantistica, dinamica molecolare classica e metodi ibridi, sono applicati allo studio di biomolecole e macromolecole, al fine di investigare differenti aspetti come struttura, dinamica, energetica e in particolare la flessibilità. In aggiunta ai metodi su menzionati è stato anche esplorato un approccio fluido-dinamico al fine di descrivere e simulare sistemi microfluidici, focalizzando l'attenzione sulla reattività dei sistemi presi in esame. Tutti questi approcci sono dipendenti dall'estensione del sistema e, poiché hanno un differente costo computazionale, la loro applicazione dovrebbe essere limitata ad una ragionevole dimensione dei sistemi studiati. Le profonde differenze in termini di costo/accuratezza sono discusse, fornendo un collegamento tra le scale spaziali delle diverse metodologie, al fine di esplicare come le informazioni ottenute a scale spaziali inferiori possano essere considerate come punto di partenza accurato per effettuare simulazioni a scale spaziali maggiori, in un approccio che è oggi comunemente noto come modellazione multiscala. La connessione tra i metodi ad alta accuratezza/alto costo e quelli a bassa accuratezza/basso costo è commentata, illustrando così come un approccio multiscala possa permettere, in casi specifici, di incrementare al contempo l'accuratezza del dato calcolato e la dimensione del sistema simulato.
Yewande, Emmanuel Oluwole. "Modelling and simulation of surface morphology driven by ion bombardment." Doctoral thesis, [S.l.] : [s.n.], 2006. http://webdoc.sub.gwdg.de/diss/2006/yewande.
Повний текст джерелаShenoy, Bhamy Maithry. "Quantum-Continuum Modeling and Simulations of Semiconductor Nanostructures." Thesis, 2016. https://etd.iisc.ac.in/handle/2005/4380.
Повний текст джерелаКниги з теми "Quantum-Continuum Modeling"
Bellman Continuum Workshop (3rd 1988 Sophia-Antipolis, France). Modeling and control of systems in engineering, quantum mechanics, economics, and biosciences: Proceedings of the Bellman Continuum Workshop 1988, June 13-14, Sophia Antipolis, France. Edited by Blaquière Austin. Berlin: Springer-Verlag, 1989.
Знайти повний текст джерелаModeling and Control of Systems in Engineering, Quantum Mechanics, Economics and Biosciences: Proceedings of the Bellmann Continuum Workshop 1988, June 13-14, Sophia Antipolis, France. Springer-Verlag Berlin and Heidelberg GmbH & Co. KG, 1989.
Знайти повний текст джерелаЧастини книг з теми "Quantum-Continuum Modeling"
Asuncion L. Magsino, Maria. "A Biosemiotic Modeling of the Body-“Self” Synechism." In Mind and Matter - Challenges and Opportunities in Cognitive Semiotics and Aesthetics [Working Title]. IntechOpen, 2021. http://dx.doi.org/10.5772/intechopen.100037.
Повний текст джерелаТези доповідей конференцій з теми "Quantum-Continuum Modeling"
Friedman, Lawrence H. "Stochastic continuum modeling self-assembled epitaxial quantum dot formation." In NanoScience + Engineering, edited by Geoffrey B. Smith and Akhlesh Lakhtakia. SPIE, 2008. http://dx.doi.org/10.1117/12.795615.
Повний текст джерелаOates, William S. "Correlations Between Quantum Mechanics and Continuum Mechanics for Ferroelectric Material Simulations." In ASME 2013 Conference on Smart Materials, Adaptive Structures and Intelligent Systems. American Society of Mechanical Engineers, 2013. http://dx.doi.org/10.1115/smasis2013-3184.
Повний текст джерелаJi, Pengfei, Mengzhe He, Yiming Rong, Yuwen Zhang, and Yong Tang. "Multiscale Investigation of Thickness Dependent Melting Thresholds of Nickel Film Under Femtosecond Laser Heating." In ASME 2018 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2018. http://dx.doi.org/10.1115/imece2018-86947.
Повний текст джерелаLi, Guanchen, and Michael R. von Spakovsky. "Study of the Transient Behavior and Microstructure Degradation of a SOFC Cathode Using an Oxygen Reduction Model Based on Steepest-Entropy-Ascent Quantum Thermodynamics." In ASME 2015 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2015. http://dx.doi.org/10.1115/imece2015-53726.
Повний текст джерелаLiu, Wing Kam, and Ashfaq Adnan. "Multiscale Modeling and Simulation for Nanodiamond-Based Therapeutic Delivery." In ASME 2010 First Global Congress on NanoEngineering for Medicine and Biology. ASMEDC, 2010. http://dx.doi.org/10.1115/nemb2010-13273.
Повний текст джерелаQueiroz, Nayhara B. D. F., and M. S. Amaral. "EFEITOS DE MICRO-HIDRATAÇÃO EM PROPRIEDADES CONFORMACIONAIS E ESPECTROSCÓPICAS DO ANTIBIÓTICO MARBOFLOXACINO." In VIII Simpósio de Estrutura Eletrônica e Dinâmica Molecular. Universidade de Brasília, 2020. http://dx.doi.org/10.21826/viiiseedmol2020177.
Повний текст джерелаBuehler, Markus J. "Defining Nascent Bone by the Molecular Nanomechanics of Mineralized Collagen Fibrils." In ASME 2009 International Mechanical Engineering Congress and Exposition. ASMEDC, 2009. http://dx.doi.org/10.1115/imece2009-12137.
Повний текст джерелаMedlar, Michael P., and Edward C. Hensel. "Validation of a Physics Based Three Phonon Scattering Algorithm Implemented in the Statistical Phonon Transport Model." In ASME 2020 International Mechanical Engineering Congress and Exposition. American Society of Mechanical Engineers, 2020. http://dx.doi.org/10.1115/imece2020-23307.
Повний текст джерела