Littérature scientifique sur le sujet « Molecular interdiffusion »
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Articles de revues sur le sujet "Molecular interdiffusion":
Tahani, Masoud, Eligiusz Postek et Tomasz Sadowski. « Molecular Dynamics Study of Interdiffusion for Cubic and Hexagonal SiC/Al Interfaces ». Crystals 13, no 1 (27 décembre 2022) : 46. http://dx.doi.org/10.3390/cryst13010046.
Tahani, Masoud, Eligiusz Postek, Leili Motevalizadeh et Tomasz Sadowski. « Effect of Vacancy Defect Content on the Interdiffusion of Cubic and Hexagonal SiC/Al Interfaces : A Molecular Dynamics Study ». Molecules 28, no 2 (11 janvier 2023) : 744. http://dx.doi.org/10.3390/molecules28020744.
Tahani, Masoud, Eligiusz Postek et Tomasz Sadowski. « Diffusion and Interdiffusion Study at Al- and O-Terminated Al2O3/AlSi12 Interface Using Molecular Dynamics Simulations ». Materials 16, no 12 (12 juin 2023) : 4324. http://dx.doi.org/10.3390/ma16124324.
Griesche, Axel, Bo Zhang, Jürgen Horbach et Andreas Meyer. « Interdiffusion and Thermodynamic Forces in Binary Liquid Alloys ». Materials Science Forum 649 (mai 2010) : 481–86. http://dx.doi.org/10.4028/www.scientific.net/msf.649.481.
Ouyang, Yifang, Jizheng Wu, Jiangxia Wen, Hongmei Chen, Yulu Zhou, Xiaoma Tao et Yong Du. « Molecular dynamics simulation of diffusion for Ni–Zr interface ». International Journal of Modern Physics B 34, no 25 (4 septembre 2020) : 2050217. http://dx.doi.org/10.1142/s0217979220502173.
Wang, Li, Tsung-Tse Lin, Mingxi Chen, Ke Wang et Hideki Hirayama. « Terahertz quantum cascade laser considering compositional interdiffusion effect ». Applied Physics Express 16, no 3 (1 mars 2023) : 032007. http://dx.doi.org/10.35848/1882-0786/acc568.
Le, Anh-Duc, André Chateau Akué Asséko, Benoît Cosson et Patricia Krawczak. « Investigating the Effect of Interface Temperature on Molecular Interdiffusion during Laser Transmission Welding of 3D-Printed Composite Parts ». Materials 16, no 18 (7 septembre 2023) : 6121. http://dx.doi.org/10.3390/ma16186121.
Tsige, Mesfin, et Gary S. Grest. « Molecular dynamics simulation of solvent–polymer interdiffusion : Fickian diffusion ». Journal of Chemical Physics 120, no 6 (8 février 2004) : 2989–95. http://dx.doi.org/10.1063/1.1640347.
Bastrakova, M. V., K. R. Mukhamatchin, Yu M. Kuznetsov et M. V. Dorokhin. « The study of Si/Ge interdiffusion using molecular dynamics simulation ». Journal of Physics : Conference Series 1695 (décembre 2020) : 012036. http://dx.doi.org/10.1088/1742-6596/1695/1/012036.
Borkovska, L. V., R. Beyer, M. Hoffmann, A. Holzhey, N. Korsunska, Yu G. Sadofyev et Joerg Weber. « Role of Cation Vacancy-Related Defects in Self-Assembling of CdSe Quantum Dots ». Defect and Diffusion Forum 230-232 (novembre 2004) : 55–66. http://dx.doi.org/10.4028/www.scientific.net/ddf.230-232.55.
Thèses sur le sujet "Molecular interdiffusion":
Binder, Kurt, Subir K. Das, Michael E. Fisher, Jürgen Horbach et Jan V. Sengers. « Interdiffusion in critical binary mixtures by molecular dynamics simulation ». Universitätsbibliothek Leipzig, 2016. http://nbn-resolving.de/urn:nbn:de:bsz:15-qucosa-193274.
Binder, Kurt, Subir K. Das, Michael E. Fisher, Jürgen Horbach et Jan V. Sengers. « Interdiffusion in critical binary mixtures by molecular dynamics simulation ». Diffusion fundamentals 6 (2007) 10, S. 1-12, 2007. https://ul.qucosa.de/id/qucosa%3A14184.
Yaneva, Jaklin, Burkhard Dünweg et Andrey Milchev. « Non-fickian interdiffusion of dynamically asymmetric species : a molecular dynamics study ». Diffusion fundamentals 2 (2005) 40, S. 1-2, 2005. https://ul.qucosa.de/id/qucosa%3A14370.
Laot, Christelle Marie III. « Spectroscopic Characterization of Molecular Interdiffusion at a Poly(Vinyl Pyrrolidone) / Vinyl Ester Interface ». Thesis, Virginia Tech, 1997. http://hdl.handle.net/10919/36944.
In this research, the molecular interdiffusion across a poly(vinyl pyrrolidone))/vinyl ester monomer (PVP/VE) interface is being investigated by Fourier Transform Infrared Attenuated Total Reflectance (FTIR-ATR) spectroscopy. The ATR method which can be used to characterize the transport phenomena, offers several advantages, such as the ability to monitor the diffusion in situ or to observe chemical reactions. In order to separate the effects of the vinyl ester monomer diffusion and the crosslinking reaction, ATR experiments were carried out at temperatures below the normal curing temperature. Diffusion coefficients were determined by following variations in infrared bands as a function of time, and fitting this data to a Fickian model. The values of the diffusion coefficients calculated were consistent with values found in the literature for diffusion of small molecules in polymers. The dependence of diffusion coefficients on temperature followed the Arrhenius equation. Hydrogen bonding interactions were also characterized. The diffusion model used in this study, however, does not seem to be appropriate for the particular (PVP/VE) system. Because the glass transition temperature of the PVP changed as diffusion proceeded, one would expect that the mutual diffusion coefficient did not stay constant. In fact, it was shown that the Tg can drop by 140oC during the diffusion process. A more suitable model of the (PVP/VE) system should take into account plasticization, hydrogen bonding, and especially a concentration dependent diffusion coefficient. Further analysis is therefore needed.
Master of Science
Gopal, Anamika. « Effects of Thickness, Morphology and Molecular Structure of Donor and Acceptor Layers in Thermally Interdiffused Polymer Photovoltaics ». Diss., Virginia Tech, 2007. http://hdl.handle.net/10919/27279.
Ph. D.
Jabeen, Rowshni. « Laser transmission welding of natural fibre reinforced thermoplastic composites ». Electronic Thesis or Diss., Ecole nationale supérieure Mines-Télécom Lille Douai, 2022. http://www.theses.fr/2022MTLD0011.
Laser transmission welding of thermoplastics requires the optimisation of interfacial adhesion at the weld joint. In this regard, the process modelling, and the development of numerical simulation tools are indispensable to optimize the mechanical strength of the weld joint. The task is more difficult in the case of highly heterogeneous and anisotropic composite materials. Moreover, the laser transmission is still difficult in the case of opaque or semi-transparent media such as natural fibre reinforced thermoplastic composites. The thermal and optical properties of composites depend on the properties and morphology of the constituents such as fibres and polymer, which can affect the transmission spectrum in the infrared range. The absorption and refraction of laser ray propagation in the composite materials lead to a reduction of the transmitted energy arriving at the weld interface, which directly influences the quality of the weld and its mechanical performance. In this dissertation, the effect of absorption and diffusion phenomena on the development of temperature field at the weld interface is analysed numerically and experimentally. Considering the fibre orientation, shape, length and volume fraction, numerical 3D geometries representing composite materials are generated to simulate the propagation of laser rays with “Ray tracing” algorithm. Numerical models to estimate the strength of weld are presented while considering the influence of welding parameters (such as laser power, feeding speed and focus position), material properties and molecular interdiffusion at the weld interface. The weld bonding strength is measured by mechanical tests and their results are compared with numerical modelling results
Tardot, Alain. « Diffraction de rayons X et interdiffusion dans les superréseaux CdTe/CdZnTe et CdTe/HgTe ». Grenoble 1, 1993. http://www.theses.fr/1993GRE10090.
Baron, Thierry. « Dopage des semiconducteurs II-VI à base de tellure et réalisation de structures quantiques ». Université Joseph Fourier (Grenoble ; 1971-2015), 1996. http://www.theses.fr/1996GRE10060.
Arnoult, Alexandre. « Dopage par modulation d'hétérostructures de semiconducteurs II-VI semimagnétiques en épitaxie par jets moléculaires ». Université Joseph Fourier (Grenoble), 1998. http://www.theses.fr/1998GRE10237.
Ahmed, Tanvir. « Interdiffusion and thermotransport in engineering materials ». Thesis, 2018. http://hdl.handle.net/1959.13/1383545.
In this research in Part A (Macroscopic Description), (1) the Hall method (HM) (specifically designed for determining the interdiffusion coefficient at the low and high composition limits of the corresponding interdiffusion composition profile) is further developed in order to be applied to the whole composition profile resulting in the Extended Hall method (EHM); (2) A comparative study of the HM, EHM, Boltzmann-Matano (BM) and Sauer and Freise (SF) methods is performed using composition profiles generated by computer simulation. The results clearly indicate that the HM/EHM technique is only applicable when the interdiffusion coefficient is constant (i.e. independent of composition) or almost constant at the low composition regions. In all other cases, the BM and SF methods give the best agreement with the input interdiffusion function even at the ends of the composition profiles. In Part B ((Microscopic Description) of this thesis, the thermodynamic and thermophysical properties of the liquid Ni-Al alloys are studied over a wide temperature and concentration range by using molecular dynamics (MD) simulations. The calculations are performed by using equilibrium molecular dynamics simulation in conjunction with the Green-Kubo formalism and one of the most reliable embedded-atom method potentials for this system developed by Purja and Mishin. For an equi-atomic liquid Ni-Al alloy, the calculations are also executed on another potential. The results permit the description of the temperature and concentration dependence of the thermodynamic factor for interdiffusion. Furthermore, the simulations permit analysis of the heat of transport in thermotransport. It is possible to estimate the contributions of Onsager off-diagonal terms for the temperature and concentration range under consideration. Accordingly, in the presence of a temperature gradient, our simulation results for all the considered models of liquid Ni-Al alloys predict consistently Ni and Al to migrate to the cold and hot ends, respectively. Meanwhile, the highest value, about 1.1 ± 0.1 eV, of the reduced heat of transport is observed for Ni2Al2 alloy model and it slightly decreases towards Al-rich and Ni rich compositions. The results agree well with previous published experimental and simulation data where available.
Chapitres de livres sur le sujet "Molecular interdiffusion":
Goyhenex, Christine, R. V. P. Montsouka, Mirosław Kozłowski et Veronique Pierron-Bohnes. « Interdiffusion of Two L10Phases without Long-Range Order Decrease : Experiments and Molecular Dynamics Simulations ». Dans Solid State Phenomena, 59–66. Stafa : Trans Tech Publications Ltd., 2007. http://dx.doi.org/10.4028/3-908451-39-6.59.
BROCHARD-WYART, F. « Kinetics of Polymer/Polymer Interdiffusion ». Dans Molecular Conformation and Dynamcis of Macromolecules in Condensed Systems, 249–56. Elsevier, 1988. http://dx.doi.org/10.1016/b978-0-444-42993-3.50019-5.
Actes de conférences sur le sujet "Molecular interdiffusion":
Andrade, R. Ribeiro, F. M. Matinaga, A. Malachias, M. V. B. Moreira, A. G. de Oliveira, J. C. González, Jisoon Ihm et Hyeonsik Cheong. « On the Ga interdiffusion in InAs free-standing nanowires grown by molecular beam epitaxy ». Dans PHYSICS OF SEMICONDUCTORS : 30th International Conference on the Physics of Semiconductors. AIP, 2011. http://dx.doi.org/10.1063/1.3666346.
Nakhle, Wissam, Marie-Claude Heuzey et Paula M. Wood-Adams. « Interdiffusion dynamics at the interface between two polystyrenes with different molecular weight probed by a rheological tool ». Dans NOVEL TRENDS IN RHEOLOGY VIII. Author(s), 2019. http://dx.doi.org/10.1063/1.5109505.
Zheng, Yao-Ting, Zaoxiao Zhang, Guang-xu Cheng, Fu-Zhen Xuan et Zhengdong Wang. « Molecular Dynamics Simulation of Hydrogen-Activated Coalescence and Growth of Nano-Voids ». Dans ASME 2017 Pressure Vessels and Piping Conference. American Society of Mechanical Engineers, 2017. http://dx.doi.org/10.1115/pvp2017-65577.
Hirn, U., et R. Schennach. « Fiber-Fiber Bond Formation and Failure : Mechanisms and Analytical Techniques ». Dans Advances in Pulp and Paper Research, Oxford 2017, sous la direction de W. Batchelor et D. Söderberg. Fundamental Research Committee (FRC), Manchester, 2017. http://dx.doi.org/10.15376/frc.2017.2.839.
Barzyk, D., D. H. Page et A. Ragauskas. « Carboxylic Acid Groups and Fibre Bonding ». Dans The Fundamentals of Papermaking Materials, sous la direction de C. F. Baker. Fundamental Research Committee (FRC), Manchester, 1997. http://dx.doi.org/10.15376/frc.1997.2.893.