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1

Harrop, J. D. "Structural properties of amorphous materials." Thesis, University of Cambridge, 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.603792.

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The traditionally distinct fields of the structure of amorphous materials and time-frequency analysis are reviewed before time-frequency analysis is applied to the study of the diffraction data of amorphous materials for the first time. Several, general-purpose development in the field of wavelet-based time-frequency analysis, including new wavelets, are presented which were found to be necessary for the application of these methods to the study of diffraction data. A new representation of the diffraction data of amorphous materials is formulated in terms of the new method of time-frequency analysis. Additional new methods for the structural analysis of amorphous materials are also presented. These methods of analysis are applied to both experimentally-measured and computationally-simulated diffraction data for four different types of amorphous structure.  A detailed discussion is presented which examines various features found in the results of these analyses. In particular, the new representation of diffraction data is shown to be able to decompose the data over the real-reciprocal space plane. This is used to elucidate the existence of extended-range order in the amorphous structures, which is found to reproduce a simple functional form accurately in all cases. Additionally, different type of amorphous structure are shown to exhibit characteristic numbers of superimposed sets of these extended-range oscillations, which form the observed damped-density fluctuations. The relevance of existing mean-field theories is examined as a possible explanation for the functional form which we have observed empirically. Finally, conclusions are drawn based upon these results and suggestions are made for further work.
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2

Grazier, Jeffery N. "Characterisation of amorphous pharmaceutical materials." Thesis, Loughborough University, 2013. https://dspace.lboro.ac.uk/2134/12986.

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Small quantities of amorphous content can have a profound influence on the properties of a material, however their instability means that quantifying amorphous content over time is important for proving the stability of a drug. Quantifying amorphous content in α-lactose monohydrate by solid state 13C CP MAS NMR, has been carried out by use of proton saturation recovery relaxation and differentiating between spectra by partial least squares (PLS), however these techniques have not proved sensitive on their own, this work investigates their sensitivity in combination. Crystalline α-lactose monohydrate and a rapidly quenched melt were combined to create a set of calibration mixes, whose spectra were recorded using proton saturation recovery relaxations ranging from 2 to 60 seconds. This technique showed a limit of detection of 0.17% (LOD = intercept + 3xSy/x), with a relaxation delay of 15 s and was able to recognise amorphous materials generated by spray and freeze drying. The atmospheric effects on the proton saturation recovery relaxation times of different amorphous lactose preparations were investigated. This found that an oxygen atmosphere reduced the relaxation times, of amorphous lactose that was prepared from a rapidly quenched melt. The loss of moisture from spray dried and freeze dried samples to less than 1% removed the significance of this effect. Lactose is an important excipient in pharmaceuticals and a key ingredient of confectionary, very little research has been carried out in to the quantification of the isomers of different preparations of amorphous lactose. This work quantifies the isomer content by Gas Chromatography with Flame Ionisation Detection (GC-FID) using a DB-17 15m 0.53mm 1.00 μm column and derivatisation with N- (trimethylsilyl)imidazole.
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3

Chou, Yu-Jen. "Structural studies of amorphous materials." Thesis, University of Oxford, 2018. http://ora.ox.ac.uk/objects/uuid:0f4885fe-fcaa-4275-a3e8-53881112ae73.

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Amorphous materials have attracted interest due to their unique properties as many common objects and industrially important components are made of amorphous materials. To understand their properties, building structure-property correlations is an important step. Typically, amorphous materials are investigated by X-ray or neutron diffraction, but due to the relatively large interaction volumes for both probes, these techniques are not suitable for studying materials with nanovolumes. In contrast, electron probes can be focused on specifically chosen nanoscale areas and data from electron diffraction patterns can be transformed into a reduced density function (RDF) which describes the distribution of nearest-neighbour distances at high precision. In this thesis, using electron diffraction based RDF techniques I have studied the effects of various factors on the RDF. In addition, Density Functional Theory (DFT) simulations and Reverse Monte Carlo (RMC) refinements were performed to support the interpretation of the experimental RDF results. Finally, two industrial important materials, bioactive glass and metallic glass, were examined. A possible structure-property correlation in bioactive glasses is proposed while an analytical RDF technique was developed for the construction of metallic glass models.
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4

Chakraborty, Arnab. "Magnetism of Nanocrystallized Amorphous Fe75B10Si15." Thesis, KTH, Materialvetenskap, 2012. http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-107191.

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Amorphous ribbons of alloy composition Fe75B10Si15 are cast by melt spinning and annealed to partially nanocrystalline states. The magnetic properties are investigated by VSM and MTGA. Structure is examined using XRD and SEM. Results obtained show nanostructured material with excellent soft magnetism in samples annealed at temperatures below the crystallization temperature as well as enhancement of magnetic hardness for annealing at high temperatures. This validates Herzer’s Random Anisotropy model of magnetism in nanostructured materials and provides basis for further inquiry into tweaking alloy compositions and/or manipulating annealing parameters. Also, increase of Curie temperature is noted with respect to increasing annealing temperatures arising from stress relaxation, validating a study on the relationship between the two.
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5

Brunier, Thierry Marcel. "Neutron scattering studies of amorphous materials." Thesis, University of Reading, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.254171.

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6

Melin, Pontus. "Atomistic Modeling of Amorphous Energetic Materials." Thesis, Uppsala universitet, Molekyl- och kondenserade materiens fysik, 2018. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-359778.

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A majority of research within the field of energetic materials have been centered around the stable crystalline phase, whilst there has been less about the amorphous phase and the implications of these types of material. In this study, Molecular Dynamics simulations with the General Amber Force Field (GAFF) is used to predict fundamental properties of the nitramine explosives HMX and CL-20 in the amorphous phase. Amorphous structures are obtained by compressing a molecular gas to 4 GPa followed by relaxation and equilibration. The simulations indicate that the amorphous phases of HMX and CL-20 have lower densities than the corresponding crystal phases, 12.7% and 7.3% respectively. Both HMX and CL-20 was found to compress more easily when subject to external pressure, the difference was most significant for HMX.As a second part of this study an amorphous composition of CL-20/HMX/Polyvinylacetate(PVAc) (50/45/5 -wt%) was studied. This was obtained by compressing a molecular gas to varying pressures followed by relaxation and equilibration. Results indicate that the simulated density around 1.64 [g/cm3 ] fall close to experimental observations of 1.7 [g/cm3 ]. The density was observed to not vary significantly for pressures higher than 0.4 [GP a] in accordance to experimental data.
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7

Pandey, Anup. "Modeling and Simulation of Amorphous Materials." Ohio University / OhioLINK, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1479377563495893.

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8

Jacques, Jeannette. "Boron diffusion within amorphous silicon materials." [Gainesville, Fla.] : University of Florida, 2005. http://purl.fcla.edu/fcla/etd/UFE0012805.

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9

Dinda, Guru Prasad. "Nonequilibrium processing of amorphous and nanostructured materials." Karlsruhe FZKA, 2006. http://nbn-resolving.de/urn:nbn:de:0005-072055.

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10

Luckas, Jennifer. "Electronic transport in amorphous phase-change materials." Phd thesis, Université Paris Sud - Paris XI, 2012. http://tel.archives-ouvertes.fr/tel-00743474.

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Les matériaux à changement de phase montrent la combinaison exceptionnelle d'un contraste énorme dans leurs propriétés physiques entre la phase amorphe et cristalline allié à une cinétique de changement de phase extrêmement rapide. La grande différence en résistivité permet leur application dans les mémoires numériques. De plus, cette classe de matériaux montre dans leur état vitreux des phénomènes de transport électronique caractéristiques. Le seuil de commutation dénote la chute de la résistivité dans l'état amorphe au delà d'un champ électrique critique. Le phénomène de seuil de commutation permet la transition de phase en appliquant des tensions relativement faibles. Au-dessous de cette valeur critique l'état désordonné montre une conductivité d'obscurité activée en température ainsi qu'une résistance - dans les cellules mémoires et les couches minces également - qui augmente avec le temps. Cette évolution de la résistivité amorphe entrave le stockage à plusieurs niveaux, qui offrirait la possibilité d'accroître la capacité ou la densité de stockage considérablement. Comprendre les origines physiques de ces deux phénomènes est crucial pour développer de meilleures mémoires à changement de phase. Bien que ces deux phénomènes soient généralement attribués aux défauts localisés, la connaissance de la distribution de défauts dans les matériaux amorphes à changement de phase est assez limitée. Cette thèse se concentre sur la densité des défauts mesurée dans différents verres chalcogénures présentant l'effet de seuil de commutation. Sur la base d'expériences de photo courant modulé (MPC) et de spectroscopie par déviation photothermique, un modèle sophistiqué des défauts a été développé pour GeTe amorphe (a-GeTe) mettant en évidence les états de la bande de valence et plusieurs défauts. Cette étude sur a-GeTe montre que l'analyse des données MPC peut être grandement améliorée en prenant en compte la variation de la bande de l'énergie interdite avec la température. Afin de mieux appréhender l'évolution de la résistivité amorphe, la présente étude porte sur l'évolution avec les recuits et le vieillissement de la résistivité, de l'énergie d'activation du courant d'obscurité, de la densité des défauts, du stress mécanique, de l'environnement atomique et de l'énergie de la bande interdite mesurée par des méthodes optiques sur les couches minces de a-GeTe. Le recuit d'un échantillon entraîne un élargissement de la bande interdite et de l'énergie d'activation du courant d'obscurité. De plus, la technique MPC a révélé une diminution des défauts profonds dans les couches minces de a-GeTe vieillies. Ces résultats illustrent l'impact de l'annihilation des défauts et de l'élargissement de la bande interdite sur l'évolution de la résistivité des matériaux à changement de phase amorphe. Cette thèse présente également une étude sur les alliages à changement de phase GeSnTe. En augmentant la concentration d'étain, on observe une décroissance systématique de la résistivité amorphe, de l'énergie d'activation du courant d'obscurité, de la largeur de bande interdite et de la densité des défauts, qui conduisent à une résistivité amorphe plus stables dans les compositions riches en étain comme a-Ge2Sn2Te4. L'étude sur les alliages GeSnTe montre que les matériaux à changement de phase ayant une résistivité amorphe plus stable présentent une faible énergie d'activation du courant d'obscurité. À l'exemple du Ge2Sn2Te4 et GeTe la présente étude montre un lien étroit entre l'évolution de la résistivité et la relaxation du stress mécanique. L'étude sur les verres chalcogénures montrent que les matériaux ayant un grand champ d'électrique de seuil, bien connu d'après la littérature, présentent aussi une grande densité de défauts. Ce résultat implique que l'origine du phénomène de seuil de commutation se trouve dans un mécanisme de génération à travers la bande interdite et de recombinaison dans les défauts profonds comme proposé par D. Adler.
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11

Lowe, A. J. "Photostructural changes and defects in amorphous materials." Thesis, University of Cambridge, 1985. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.355260.

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12

Anwar, M. "Spectroscopic investigations of amorphous complex dielectric materials." Thesis, Brunel University, 1989. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.234036.

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13

Ludlam, Jonathan James. "Localisation of the vibrations of amorphous materials." Thesis, University of Cambridge, 2004. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.616024.

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14

Cai, Bin. "Model Design and Analysis for Amorphous Materials." Ohio University / OhioLINK, 2011. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1311192632.

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15

Bhattarai, Bishal. "Ab initio Structure Inversion for Amorphous Materials." Ohio University / OhioLINK, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1537349044469989.

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16

Igram, Dale J. "Computational Modeling and Characterization of Amorphous Materials." Ohio University / OhioLINK, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1564347980986716.

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17

Palma, Joseph John. "X-ray Diffraction Studies of Amorphous Materials." Diss., Temple University Libraries, 2013. http://cdm16002.contentdm.oclc.org/cdm/ref/collection/p245801coll10/id/231213.

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Physics
Ph.D.
This thesis presents a study on two types of X-ray diffraction methodologies applied to the characterization of amorphous materials. The purpose of this study was to assess the feasibility of measuring the diffractive spectrum of amorphous materials by Energy-Dispersive X-ray Diffraction (EDXRD) utilizing Cadmium Zinc Telluride detectors. The total scattering intensity (coherent plus incoherent scatter) spectra precisely measured by high-energy Wide-Angle X-ray Scattering (WAXS) were compared to the EDXRD spectra to determine the level of agreement between the two techniques. The EDXRD spectra were constructed by applying a spectra fusing technique which combined the EDXRD spectra collected at different scattering angles rendering a continuous total scattering spectrum. The spectra fusing technique extended the momentum transfer range of the observed scattered spectrum beyond the limitations of the X-ray source and CZT detection efficiencies. Agreement between the WAXS and fused EDXRD spectra was achieved. In addition, this thesis presents the atomic pair correlation functions and coordination numbers of the first coordination shell for four hydrogen peroxide solutions of varying mass concentrations using Empirical Potential Structural Refinement (EPSR). The results are compared to the state-of-the art ad initio quantum mechanical charge field molecular dynamics (QMCF MD) model of the hydrogen peroxide in solution to support the model's predictions on why hydrogen peroxide is stable in water. The EPSR results using the coherent scattering intensity calculated from the WAXS data set predicts a hydration shell of 6.4 molecules of water surrounding hydrogen peroxide. The results also indicate that hydrogen peroxide is more likely to behave as a proton donor than acceptor. These findings are in agreement with QMCF MD model of aqueous hydrogen peroxide.
Temple University--Theses
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18

Dawson, Janet Caroline. "The electronic properties of granular and amorphous materials." Thesis, University of Cambridge, 1993. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.318097.

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19

Isaeva, Leyla. "Amorphous and crystalline functional materials from first principles." Doctoral thesis, Uppsala universitet, Materialteori, 2015. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-260704.

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This thesis deals with various functional materials from first-principles methods and is divided into two major parts according to the underlying atomic structure of the system under study. The first part of the thesis deals with the temperature-induced structural phase transitions in metallic  β'-AuZn and perovskite oxide LiOsO3. The former one, i.e. binary AuZn, belongs to a class of shape-memory alloys that regain their initial shape due to a reversible martensitic phase transformation. Here, by means of density functional and density functional perturbation theories, we show that the martensitic transition is due to coupling between the Fermi surface nesting and anomalies in the phonon dispersion relations. The other metallic system, perovskite LiOsO3, exhibits a ferroelectric-like transition and is currently the first and sole realization of the Anderson and Blount idea. By means of ab initio molecular dynamics simulations, we investigate the mechanism behind this structural phase transformation. Another part of the thesis is dedicated to modelling and characterization of topologically disordered materials on atomic level. The structural and electronic properties of amorphous W-S-N are addressed regarding its outstanding tribological properties, i.e. almost vanishing friction coefficient. Molecular dynamics “melt-and-quench” technique has been employed in order to construct a model structure of amorphous W-S-N. Further analysis of the atomic structure revealed a formation of quasi-free N2 molecules trapped in S cages, which, together with the complex atomic structure of W-S-N, is the key to ultra-low-friction in this functional material. In the last chapter of the thesis a magnetic class of amorphous materials is addressed. Magnetic order in amorphous Gd-Fe ferrimagnet has been shown to undergo magnezation switching driven by a femtosecond laser pulse. Here, we combine first-principles density functional theory and atomistic spin dynamics simulations to explore this phenomena. A possible mechanism behind magnetization reversal in Gd-Fe based on a combination of the Dzyaloshinskii-Moriya interaction and exchange frustration is proposed.
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20

Ling, Chan Shek. "Structural studies on silica and other amorphous materials." Thesis, University of Cambridge, 1991. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.385950.

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21

Su, Cheng Ph D. Massachusetts Institute of Technology. "A continuum constitutive model for amorphous metallic materials." Thesis, Massachusetts Institute of Technology, 2007. http://hdl.handle.net/1721.1/38928.

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Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Mechanical Engineering, 2007.
Includes bibliographical references (leaves 153-161).
A finite-deformation, Coulomb-Mohr type constitutive theory for the elastic-viscoplastic response of pressure-sensitive and plastically-dilatant isotropic materials has been developed. The constitutive model has been implemented in a finite element program, and the numerical capability is used to study the deformation response of amorphous nietallic glasses. Specifically, the response of an amorphous metallic glass in tension, compression, strip-bending, and indentation is studied, and it is shown that results from the numerical simulations qualitatively capture major features of corresponding results from physical experiments available in the literature. The response of a Zr-based glass in instrumented plane strain indentation with a cylindrical indenter tip is also studied experimentally. The constitutive model and simulation capability is used to numerically calculate the indentation load versus depth curves, and the evolution of corresponding shear-band patterns under the in-denter. The numerical simulations are shown to compare very favorably with the corresponding experimental results. The constitutive model is subsequently extended to the high homologous temperature regime, and the response of a representative Pd-based metallic glass in tension at various strain rates and temperatures with different pre-annealing histories is studied.
(cont.) The model is shown to capture the major features of the stress-strain response and free volume evolution of this metallic glass. In particular, the phenomena of stress overshoot and strain softening in monotonic experiments at a given strain rate and temperature, as well as strain rate history effects in experiments involving strain rate increments and decrements are shown to be nicely reproduced by the model. Finally, a cavitation mechanism is incorporated in the constitutive model to simulate the failure phenomenon caused by the principal and hydro-static stresses. With the revised theory, the response of a prototypical amorphous grain-boundary is investigated, and the result is later applied to study the deformation and failure behavior of nanocrystalline fcc metals by coupling with appropriate crystal-plasticity constitutive model to represent the grain interior.
by Cheng Su.
Ph.D.
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22

Akamatsu, Hirofumi. "Magnetic Properties of Amorphous Oxides and Related Materials." 京都大学 (Kyoto University), 2009. http://hdl.handle.net/2433/77993.

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23

Tse, Shing Chi. "Charge transport and injection in amorphous organic electronic materials." HKBU Institutional Repository, 2007. http://repository.hkbu.edu.hk/etd_ra/821.

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24

Spilsbury, David. "A study of amorphous materials and of multilayer materials by neutron scattering methods." Thesis, University of Sheffield, 1996. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.387793.

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25

Cadney, Sean. "Welding and weld repair of nanostructured and amorphous materials." Thesis, McGill University, 2007. http://digitool.Library.McGill.CA:80/R/?func=dbin-jump-full&object_id=112561.

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In recent years, nanostructured and amorphous metals have become more prominent in scientific research. Their unique characteristics and their vastly superior mechanical properties have lead to emerging technical applications however the use of these materials is only in its infancy. To further growth the industrial applications for these advanced materials, joining processes capable of maintaining the unique aspects of the microstructure are required.
Joining of two beveled plates has been accomplished by use of the Cold Spray process. This process uses a converging diverging nozzle to accelerate micron sized powder towards a substrate. The strength of the resulting joint has been compared to freeforms made of powder of the same composition. No significant difference was observed in the mechanical properties between the freeforms and the weldments and examination of the fracture surface showed that the strength of the interface is higher than the strength of the freeform itself.
A weld repair experiment has also been performed where the ElectroSpark Deposition process (ESD) has successfully been used to transfer amorphous material from an electrode to an amorphous substrate without crystallizing either material. This result is of crucial importance as it signifies that these extremely expensive and heat sensitive materials can be repaired when in-service wear causes damage. This process, due to its inherently fast cooling rate, has also successfully been used to transform a crystalline AlCoCe alloy into an amorphous deposit atop both amorphous and crystalline substrates.
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26

Christie, J. K. "Modelling the structural and vibrational properties of amorphous materials." Thesis, University of Cambridge, 2006. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.597664.

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The thesis describes modelling studies of amorphous, or non-crystalline, materials. It is split into two parts: modelling the vibrational behaviour of amorphous materials, and modelling their atomic structure. A recurring theme is representing amorphous materials as disordered crystals, and exploring to what extent this is a realistic representation. Adding force-constant and positional disorder to a diamond crystal lattice allows some, but not all, of the features of the vibrational spectrum of a realistic amorphous silicon model to be reproduced. Various properties of realistic amorphous silicon models are then examined: localization, scaling of the width of the spectral density with wavevector, and the boson peak. The medium-range structure of certain amorphous materials is shown to be well reproduced by the simple method of adding positional disorder into the structures of their crystalline counterparts. In particular, the wavevector of the first sharp diffraction peak in amorphous silicon and vitreous silica can be predicted. Further, the medium-range atomic structure of very high-density amorphous (VHDA) ice can be predicted by combining certain disordered crystalline ice phases. The best-fit phase fractions of these crystalline phases are very close to those observed in the experimental recrystallization of VHDA ice. Finally, connections between the structures of the high-pressure amorphous phases of silicon and ice are explored.
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Mollison, Neil Bruce. "Structural characterisation of amorphous materials by solid state NMR." Thesis, University of Kent, 2002. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.269106.

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28

Miyajima, Shumpei. "Novel deposition of doped amorphous silicon and related materials." Thesis, University of Cambridge, 1994. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.337909.

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29

Patel, Bhavnita. "Pharmaceutical co-amorphous materials and cocrystals : preparation and analysis." Thesis, University of Cambridge, 2013. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.648098.

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30

Bascaran, Julen. "Amorphous Materials as Fast Charging Li-ion Battery Anodes." The Ohio State University, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=osu1565192878407804.

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31

Chowdhury, MD Sadrul. "Computational studies of structure and dynamics in amorphous materials." Thesis, The University of Sydney, 2015. http://hdl.handle.net/2123/13328.

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This thesis presents a theoretical study of the shear stress relaxation in amorphous silicon network in 3D system and the microscopic origin of shear stress in inherent structure supercooled liquid mixtures in 2D and 3D glass forming alloys. We present the shear stress relaxation in an amorphous silicon network via single bond rotation. To understand the shear stress relaxation we have generated the distribution of shear stress and stress change in inherent structure in both Cartesian and rotated frames. We see the distributions are Gaussian with zero mean and the variance of the stress is weakly dependent on temperature. We have also generated stress autocorrelation function for a range of temperatures and we see shear stress relaxed through the transitions in the inherent structures. We calculate the participation ratio of stress change in the rotated frame. We see almost 20% particles contribute strongly in the small system for stress change. The participation ratio decreases with increasing system sizes. In molecular dynamic simulation of 2D and 3D glass forming mixtures, we generate the plots of distributions of individual particle shear stress in inherent structures to understand the origin of total shear stress. Both distributions appear to have Gaussian with zero mean and demonstrate that the variance of atomic shear stress is very weak dependence on the parent liquid temperatures. To understand how the local shear stress arises in the inherent structures we have analysed local packing of different local compositions in 2D and 3D liquids but we don’t see any significant correlation with shear stress on them. We then analysed shear stress with force network. We have found a strong correlation with maximum shear stress and force fluctuations in the force network. We also found that the shear stress exhibits a long range anisotropic correlation in the inherent structures of both liquids.
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32

McComber, Kevin A. "Single-crystal germanium growth on amorphous silicon." Thesis, Massachusetts Institute of Technology, 2011. http://hdl.handle.net/1721.1/69792.

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Thesis (Ph. D.)--Massachusetts Institute of Technology, Dept. of Materials Science and Engineering, 2011.
Cataloged from PDF version of thesis.
Includes bibliographical references (p. 130-136).
The integration of photonics with electronics has emerged as a leading platform for microprocessor technology and the continuation of Moore's Law. As electronic device dimensions shrink, electronic signals encounter crippling delays and heating issues such that signal transduction across large on-chip distances becomes increasingly more difficult. However, these issues may be mitigated by the use of photonic interconnects combined with electronic devices in electronic-photonic integrated circuits (EPICs). The electronics in proposed EPIC designs perform the logic operations and short-distance signal transmission, while photonic devices serve to transmit signals over longer lengths. However, the photonic devices are large compared to electronic devices, and thus the two types of devices would ideally exist on separate levels of the microprocessor stack in order to maximize the amount of silicon substrate available for electronic device fabrication. A CMOS-compatible back-end process for the fabrication of photonic devices is necessary to realize such a three-dimensional EPIC. Back-end processing is limited in thermal budget and does not present a single-crystal substrate for epitaxial growth, however, so high-quality crystal fabrication methods currently used for photonic device fabrication are not possible in back-end processing. This thesis presents a method for the fabrication of high-quality germanium single crystals using CMOS-compatible back-end processing. Initial work on the ultra-high vacuum chemical vapor deposition of polycrystalline germanium on amorphous silicon is presented. The deposition can be successfully performed by using a pre-growth hydrofluoric acid dip and by limiting the thickness of the amorphous silicon layer to less than 120 nm. Films deposited at temperatures of 350° C, 450° C, and 550° C show (110) texture, though the texture is most prevalent in growths at 450° C. Poly-Ge grown at 4500 C is successfully doped n-type in situ, and the grain size of as-grown material is enhanced by lateral growth over a barrier. Structures are fabricated for the growth of Ge confined in one dimension. The growths show faceting across large areas, in contrast to as-deposited poly-Ge, corresponding to enhanced grain sizes. Growth confinement is shown to reduce the defect density as the poly-Ge grows. When coalesced into a continuous film, the material grown from 1 D confinement exhibits a lower carrier density and lower trap density than as-deposited poly-Ge, indicating improved material quality. We measure an increased grain size from as-deposited poly-Ge to Ge grown from ID confinement. Single-crystal germanium is grown at 450° C from confinement in two dimensions. Such growths exhibit faceting across the entire crystal as well as the presence of E3 boundaries ({111} twins), with many growths showing no other boundaries. These twins mediate the growth of the crystal, as they serve as the points for heterogeneous surface nucleation of adatom clusters. The twins can form after the crystal nucleates and are strongly preferred in order to obtain appreciable crystal growth rates. We model the growths from the confining channels in order to find the optimum channel geometry for large, uniform, single-crystal growths that consistently emerge from the channel. The growths from 2D confinement show lower trap density than those from 1 D confinement, indicating a further enhancement of the crystal quality due to the increased confinement. This method of single-crystal growth from an amorphous substrate is extensible to any materials system in which selective non-epitaxial deposition is possible.
by Kevin A. McComber.
Ph.D.
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33

Huang, Ting-Yun Sasha. "Stability of nanostructured : amorphous aluminum-manganese alloys." Thesis, Massachusetts Institute of Technology, 2016. http://hdl.handle.net/1721.1/104107.

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Thesis: Ph. D., Massachusetts Institute of Technology, Department of Materials Science and Engineering, 2016.
This electronic version was submitted by the student author. The certified thesis is available in the Institute Archives and Special Collections.
Cataloged from student-submitted PDF version of thesis.
Includes bibliographical references (pages 113-122).
Nanocrystalline alloys have attracted interest for decades because of their improved mechanical strength without sacrificing ductility, but structural stability has always been an issue. In this work, bulk aluminum-manganese (Al-Mn) nanocrystalline alloys have been synthesized using room temperature ionic liquid electrodeposition, by which various nanostructures and dual-phase structures can be created by controlling the Mn solute incorporation level. The manganese exhibits grain boundary segregation in the Al-Mn solid solution in the as-deposited condition, which contributes to enhanced stability of the nanostructure. The grain boundary properties of the nanostructured alloys were studied via three dimensional atom probe tomography and aberration-corrected scanning electron microscopy. The segregation energies were calculated based on the experimental results and compared with the values calculated from a thermodynamic-based segregation model. Upon heating of the nanostructured and dual-phase alloys, a variety of complex phase transformations occur. A combination of X-ray diffraction, transmission electron microscopy, as well as differential scanning calorimetry were employed to understand the phase transformation mechanisms and grain growth processes. A Johnson-Mehl-Avrami-Kolmogorov analytical model was proposed as a descriptive method to explain the phase transformation sequence. Using the parameters extracted from the analytical model, predictive time-temperature transformation diagrams were constructed. The stability region of the alloy in time-temperature space is thus established, providing a simple way to evaluate nanostructure stability.
by Ting-Yun Sasha Huang.
Ph. D.
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34

Zhan, Xun. "Crystallization Micro-mechanism of Amorphous Ni-P." Case Western Reserve University School of Graduate Studies / OhioLINK, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=case1489757814121594.

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35

Rabias, J. "Power loss in amorphous ribbon materials : The effect of surface roughness on the power loss and harmonic content of flux density of amorphous ribbon materials." Thesis, Bucks New University, 1985. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.375618.

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36

Jenket, Donald R. (Donald Robert). "Electrodeposition of amorphous matrix Ni-W/Wp̳ composites." Thesis, Massachusetts Institute of Technology, 2005. http://hdl.handle.net/1721.1/32847.

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Thesis (S.B.)--Massachusetts Institute of Technology, Dept. of Materials Science and Engineering, 2005.
In title on t.p., double-underscored "p" appears as subscript.
Includes bibliographical references (p. 17).
An amorphous Ni-W alloy matrix was incorporated with W particulate through two types of electrodeposition. The plating bath for the electrodeposition contained nickel sulfate, sodium tungstate, sodium citrate, ammonium chloride, and a variable amount of 1 gm tungsten particulate ranging in concentration from about 5g/L to 15g/L.The first method was electrodeposition with only moderate stirring of the plating bath. The second method had a forced flow of solution on the substrate via a pump. The results showed incorporation in both methods, but the flowed method resulted in more incorporation. The amount of incorporation increased with the amount of particulate in solution until a limit that lies somewhere between 10g/L and 15g/L of particle concentration. At this point, the incorporation became hindered by the excess amount of particulate in solution. It was also shown that an increase of particulate concentration caused more voids in the material, and the flowed method caused less voids than the normal method. A tapering in the amount of incorporation between the substrate side and the surface side of the deposit was observed; the area close to the substrate had a higher incorporation than the area near the surface. Hardness testing showed mechanical property differences through the thickness of the deposit with the area near the substrate being softer than the area near the surface. Compression testing showed an increase in the strain and a decrease in the stress before failure, suggesting an improvement in ductility.
by Donald R. Jenket, II.
S.B.
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37

Muralidharan, Krishna. "Molecular dynamics simulations of brittle fracture in amorphous silica." Diss., The University of Arizona, 2004. http://hdl.handle.net/10150/280634.

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Fracture in brittle materials under a macroscopic load, results from the propagation of atomic-scale defects/cracks under the influence of a local stress field. These local stress fields are significantly higher than the macroscopic stress applied, causing local rearrangement of atoms around the crack tip and a consequent straining of atomic bonds that ultimately break, leading to separation of the material. The brittle fracture process has been a subject of many simulations and experiments, but the exact nature of atomic rearrangement that occurs in the regions of high stress has not yet been clearly identified. Thus, a primary objective was to accurately characterize the atomic restructuring in these critical regions. The method of molecular dynamics (MD), a widely used atomistic computation tool, was used to study the atomic-scale dynamics that take place during fracture of a typical brittle material---amorphous silica (a-SiO2). The interatomic interactions were represented by potential functions derived from first-principles. The effects of charge-transfer and temperature on the fracture process of a-SiO2 samples of different densities were investigated as a function of uniaxial strain-rates (0.1/ps-0.005/ps). A mechanism involving growth and coalescence of voids previously identified to underlie the process of brittle fracture was studied in detail in this thesis as a function of interatomic potential function, charge transfer and temperature. The regions surrounding these voids were found to be characterized by edge-sharing silica tetrahedra, while the rest of the material retained the bulk structure (corner-sharing tetrahedra) of silica glass. A secondary objective of this research work was to develop multiscale methodologies capable of modeling typical 'materials' problems like fracture. A global representation of the fracture process needs a seamless coupling of techniques capable of modeling different length and time scales. Specifically, far away from the critical regions, where the system is in elastic conditions, it is computationally prudent as well as scientifically elegant to use continuum-level simulation schemes like finite elements (FE) and finite difference time domain methods (FDTD) rather than atomistics, and only use atomistic simulations to model the highly strained regions. In this work, a continuum-FDTD region was coupled to an atomistic-MD region to study the propagation characteristics of a stress wave with broadband spectral features. The 'mismatch' in the coupling was quantified by analyzing the amount of reflection of the probing wave from the FDTD-MD interface. The above described work forms the basis for future fracture studies.
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38

Luckas, Jennifer Maria [Verfasser]. "Electronic transport in amorphous phase-change materials / Jennifer Maria Luckas." Aachen : Hochschulbibliothek der Rheinisch-Westfälischen Technischen Hochschule Aachen, 2013. http://d-nb.info/1033024333/34.

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39

Wetherall, Kate M. "The Structure of Amorphous Calcium Phosphate and othe phosphate materials." Thesis, University of Kent, 2009. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.520863.

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40

Akdaş, Deniz Güneş Mehmet. "Sub-Gap absorption spectroscopy and its applications to amorphous semiconductor materials/." [s.l.]: [s.n.], 2002. http://library.iyte.edu.tr/tezler/master/malzemebilimivemuh/T000127.pdf.

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41

Baumer, Richard E. (Richard Edward). "Atomistic simulations of radiation damage in amorphous metal alloys." Thesis, Massachusetts Institute of Technology, 2013. http://hdl.handle.net/1721.1/88363.

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Thesis: Ph. D., Massachusetts Institute of Technology, Department of Materials Science and Engineering, 2013.
Cataloged from PDF version of thesis.
Includes bibliographical references (pages 121-131).
While numerous fundamental studies have characterized the atomic-level radiation response mechanisms in irradiated crystalline alloys, comparatively little is known regarding the mechanisms of radiation damage in amorphous alloys. Knowledge of collision cascade dynamics is lacking, both with respect to the possibility of sub-cascade formation and concerning the types of damage created in individual cascades. This Thesis resolves these knowledge gaps through a systematic simulation study of the radiation response of amorphous metal alloys. Using a molecular dynamics simulation of /2 MeV ion irradiation in a realistic 2 billion-atom molecular dynamics simulation in amorphous Cu₅₀Nb₅₀, I show that radiation creates isolated nanometer-scale zones with rapidly quenching liquids. Quenched liquids reach large pressures and emit stress pulses that trigger polarized plastic deformation in adjacent material. In order to identify liquid zones in irradiated amorphous Cu₅₀Nb₅₀, I use molecular dynamics simulations to characterize the properties and glass transition temperature of uniform liquid Cu-Nb alloys. I show that radiation-induced liquid zones rapidly quench to material with the same properties as a uniform liquid quenched at an equivalent quench rate approaching 1014 K/s. These "super-quenched zones" (SQZs) are approximately 10 nm in diameter and provide a mechanistic explanation for radiation-induced swelling and ductilization in metallic glasses. The identification of plasticity adjacent to SQZs is an unexpected damage mechanism that could prove a limiting factor for the application of amorphous alloys in radiation environments. To aid selection of amorphous alloys with resistance to collision-induced plasticity, I formulate a micro-mechanical model for collision-induced plasticity in irradiated metallic glasses. The analytical model successfully ranks the damage-resistance of irradiated Cu- Nb alloys and should enable selection of amorphous alloys with optimized radiation tolerance. Finally, through characterization of quenched Cu₅₀Nb₅₀, I reveal that glass transition in Cu₅₀Nb₅₀ occurs by gelation due to formation of a mechanically stiff, percolating network of atoms with icosahedral local packing at the interfaces between compositionally enriched regions. These features of glass transition are similar to gelation processes in polymeric and colloidal gels and suggest new approaches for understanding glass transition in bulk metallic glasses.
by Richard E. Baumer.
Ph. D.
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42

Merazga, Amar. "Steady state and transient photoconductivity in n-type amorphous silicon." Thesis, University of Abertay Dundee, 1990. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.277887.

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43

Ahlström, Olle. "Characterizing the state of water in an amorphous magnesium carbonate using Dielectric spectroscopy." Thesis, Uppsala universitet, Nanoteknologi och funktionella material, 2013. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-200931.

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In the industry of today, materials which can adsorb and hold large amounts of water are playing an important role. Here, the free and bound water carrying capacity of an amorphous magnesium carbonate is investigated. It is also determined how these parameters depend on the relative humidity of the surrounding environment. To do this, the technique of dielectric spectroscopy is employed. Along with the water binding properties, the concentration of charge carriers and the diffusion coefficient was determined. A smaller part of around 10-30 % of the water adsorbed was shown to behave as free water in the material. The concentration of charge carriers was calculated to be in an order of magnitude of 1018-1022 m-3 for the higher relative humidity environments. The diffusion coefficient was shown to be about 5*10-9 m2/s for the adsorption spectrum. This value is in good agreement with the value for OH- ions in water.
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44

Chattoraj, Joyjit. "Effect of finite temperatures on the elementary mechanisms of plastic deformation in amorphous materials." Thesis, Paris Est, 2011. http://www.theses.fr/2011PEST1074/document.

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Par la mise en œuvre de simulations numériques d'un modèle bidimensionnel de verre de Lennard-Jones, nous étudions l'effet de la température sur les mécanismes élémentaires de la déformation dans les matériaux amorphes. Nous présentons un ensemble très complet de données couvrant plusieurs décades de taux de cisaillement à différentes températures en dessous et jusqu'à la transition vitreuse. Les mesures, qui portent sur la diffusion transverse, la contrainte macroscopique ainsi que sur des champs mésoscopiques (déformation, contrainte) et leurs corrélations spatiales, conduisent à proposer que la dynamique des avalanches identifiée précédemment dans les simulations athermiques continue d'être à l'œuvre - en restant presque inchangée - jusqu'à la transition vitreuse. Nous arguons que dans la gamme de paramètres utilisée l'effet des fluctuations thermiques revient à déplacer les seuils auxquels les événements dissipatifs se produisent, ce qui se traduit par une forte baisse du niveau de contrainte macroscopique aux températures les plus basses
Using numerical simulations of a model two-dimensional Lennard-Jones glass, we study the effect of small temperatures on the elementary mechanisms of deformation in amorphous materials. A very extensive data set covering several decades of shear rate at various temperatures below and up to the glass transition was compiled. Measurements, which include transverse diffusion, macroscopic stress, and coarse-grained fields (strain, stress) and their spatial correlations, lead us to propose that the avalanche dynamics previously identified in athermal simulations continues to be at work -- and nearly unchanged -- up to the glass transition. It is then argued that in this range, thermal fluctuation essentially shift the strains at which dissipative events take place, which results in a sharp drop of the macroscopic stress level at the lowest temperatures
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45

Mohammed, K. A. "Low temperature specific heat measurements of crystalline and amorphous magnetic materials." Thesis, University of Southampton, 1985. http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.356096.

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46

Fong, Hon Hang. "Transport and luminance of organic electronic materials." HKBU Institutional Repository, 2004. http://repository.hkbu.edu.hk/etd_ra/612.

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47

Raanaei, Hossein. "Tailoring Properties of Materials at the Nanoscale." Doctoral thesis, Uppsala : Uppsala University, 2009. http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-107425.

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48

Maheswaram, Manik Pavan Kumar. "Characterization of Pharmaceutical Materials by Thermal and Analytical Methods." Cleveland State University / OhioLINK, 2012. http://rave.ohiolink.edu/etdc/view?acc_num=csu1358131244.

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49

Wolford, Ian Mark. "Quantifying Amorphous Content of Commercially Available Silicon Carbide Fibers." Wright State University / OhioLINK, 2016. http://rave.ohiolink.edu/etdc/view?acc_num=wright1472054006.

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50

Prasai, Kiran. "Gap Engineering and Simulation of Advanced Materials." Ohio University / OhioLINK, 2017. http://rave.ohiolink.edu/etdc/view?acc_num=ohiou1503393620371266.

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