Results 11 to 20 of about 8,521,646 (245)
The Effect of Interatomic Potentials on Nanometric Abrasive Machining [PDF]
, 2010 One of the major tasks in a Molecular Dynamics (MD) simulation is the selection of adequate potential functions, and if the potentials don’t model the behaviour of the atoms correctly, the results produced from the simulation would be useless.
Oluwajobi, Akinjide O., Chen, Xun
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Interatomic Potential for InP. [PDF]
Materials (Basel), 2022 Classical modeling of structural phenomena occurring in InP crystal, for example plastic deformation caused by contact force, requires an interatomic interaction potential that correctly describes not only the elastic properties of indium phosphide but ...
Chrobak D +3 more
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Developing a machine learning interatomic potential for advanced ceramics [PDF]
, 2023 : Advanced ceramics, such as boron carbide, exhibit high strength, abrasion resistance, chemical and thermal stability, and low density making them candidate material for extreme condition applications like body armour, wear-resistant components, and ...
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Interatomic potentials for condensed matter [PDF]
, 1985 This paper forms an introduction to a discussion of interatomic forces. As such, it comments on the basic principles, and on some of the problems which underly present formulations, the ways in which future work should develop, and the classes of ...
Stoneham, A.M., Stoneham, AM
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Data Driven Interatomic Potential Development [PDF]
, 2023 The advancements in materials have driven significant progress in humanity which is largely enabled by a deeper understanding of fundamental materials science.
Wilson, Nathan Robert
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Neural network interatomic potential for laser-excited materials
Communications Materials, 2023 Data-driven interatomic potentials based on machine-learning approaches have been increasingly used to perform large-scale, first-principles quality simulations of materials in the electronic ground state.
Pascal Plettenberg +2 more
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Thermodynamic Properties of Monatomic, Diatomic, and Polyatomic Gaseous Natural Refrigerants: A Molecular Dynamics Simulation [PDF]
Journal of Heat and Mass Transfer Research, 2021 Owing to their lower adverse environmental impacts, natural refrigerants have recently attracted a huge deal of attention. In this regard, the present study is aimed to evaluate the thermodynamic properties of different gaseous natural refrigerants at ...
Ali Rajabpour, Milad Abbasi
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Gold-Thiolate Nanocluster Dynamics and Intercluster Reactions Enabled by a Machine Learned Interatomic Potential. [PDF]
ACS NanoMono-layer protected metal clusters comprise a rich class of molecular systems, and are promising candidate materials for a variety of applications. While a growing number of protected nanoclusters have been synthe- sized and characterized in crystalline
McCandler CA +4 more
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The Effect of Depth of Cut on the Molecular Dynamics (MD) Simulation of Multi-Pass Nanometric Machining [PDF]
, 2011 The effect of depth of cut on multi-pass nanometric machining of copper workpiece with diamond tool was studied using the Molecular Dynamics (MD) simulation.
Oluwajobi, Akinjide O., Chen, Xun
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Open Physics, 2023 The problem of optimization of interatomic potentials is formulated and solved by means of generalization of the Morse, Kaxiras–Pandey, and Rydberg potentials. The interatomic potentials are treated as solutions of some second-order ordinary differential
Surulere Samuel +2 more
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