A Modified Embedded-Atom Potential for Fe-Cr-Si Alloys

2021 ◽  
Author(s):  
Shiddartha Paul ◽  
Mario Muralles ◽  
Daniel Schwen ◽  
Michael Short ◽  
Kasra Momeni
Keyword(s):  
Embedded Atom ◽  
Atom Potential

Non-Equilibrium Properties of Au-Pd Nanoparticles

2011 ◽  
Vol 172-174 ◽  
pp. 670-675 ◽  
Author(s):  
Ivailo S. Atanasov ◽  
Marc Hou
Keyword(s):  
Molecular Dynamics ◽  
Low Temperatures ◽  
Pd Nanoparticles ◽  
Core Shell ◽  
Embedded Atom ◽  
Cluster Morphology ◽  
Pd Clusters ◽  
Atom Potential ◽  
The Way

We address the question of the evolution of a nanostructured system in a metastable state to equilibrium. To this purpose, we use the case study of the transition of an AucorePdshell nanoalloy cluster containing up to about 600 atoms toward the equilibrium Au segregated configuration. We start from a molecular dynamics approach with an embedded atom potential. The way the transition develops at low temperatures is found to be very sensitive to the cluster morphology and the way energy is exchanged with the environment. The transition of icosahedral inverse core-shell Au-Pd clusters is predicted to nucleate locally at the surface contrary to clusters with other morphologies, and starting at lower temperatures compared to them.

Embedded atom potential for Fe-Cu interactions and simulations of precipitate-matrix interfaces

1998 ◽  
Vol 6 (1) ◽  
pp. 19-28 ◽  
Author(s):  
Matthias Ludwig ◽  
Diana Farkas ◽  
Dora Pedraza ◽  
Siegfried Schmauder
Keyword(s):  
Embedded Atom ◽  
Atom Potential

Size dependence and stochastic nature of yield strength of micron-sized crystals: a case study on Ni 3 Al

2006 ◽  
Vol 462 (2070) ◽  
pp. 1661-1681 ◽  
Author(s):  
A.H.W Ngan ◽  
L Zuo ◽  
P.C Wo
Keyword(s):  
Strong Dependence ◽  
Md Simulations ◽  
Al Alloy ◽  
Dislocation Generation ◽  
Embedded Atom ◽  
Incipient Plasticity ◽  
Material Volume ◽  
General Material ◽  
Atom Potential

Recent experiments indicate that the first yield point of micron-sized metals exhibits significant statistical scatter as well as strong dependence on the specimen size. In this work, molecular dynamics (MD) simulations are carried out to investigate the onset of shear deformation in a small block of material, using an embedded atom potential for the intermetallic Ni 3 Al alloy. Incipient plasticity in the form of homogeneous dislocation generation is observed to occur at atomic sites with interatomic displacements approaching one-half of the Shockley partial Burgers vector. From the distribution function of the interatomic displacements observed in the MD simulations, the probability of a general material volume surviving under given loading conditions is predicted. The survival probability is then calculated for several situations, including homogeneous deformation and nanoindentation, to predict the critical load for incipient plasticity to occur in these situations. The predicted results are compared to micro-pillar compression and nanoindentation experiments on Ni 3 Al available in the literature.

Mass Transfer at Atomic Scale in MD Simulation of Friction Stir Welding

2016 ◽  
Vol 683 ◽  
pp. 626-631 ◽  
Author(s):  
Ivan Konovalenko ◽  
Igor S. Konovalenko ◽  
Andrey Dmitriev ◽  
Serguey Psakhie ◽  
Evgeny A. Kolubaev
Keyword(s):  
Molecular Dynamics ◽  
Mass Transfer ◽  
Friction Stir Welding ◽  
Molecular Dynamics Simulation ◽  
Md Simulation ◽  
Atomic Scale ◽  
Dynamics Simulation ◽  
Friction Stir ◽  
Embedded Atom ◽  
Atom Potential

Mass transfer has been studied at atomic scale by molecular dynamics simulation of friction stir welding and vibration-assisted friction stir welding using the modified embedded atom potential. It was shown that increasing the velocity movement and decreasing the angle velocity of the tool reduce the penetration depth of atoms into the opposite crystallite in the connected pair of metals. It was shown also that increasing the amplitude of vibrations applied to the friction stir welding tool results in increasing the interpenetration of atoms belonging to the crystallites joined

scholarly journals Impact of metal/ceramic interactions on interfacial shear strength: study of Cr/TiN using a new modified embedded-atom potential

2021 ◽  
pp. 110120
Author(s):  
Nisha Dhariwal ◽  
Abu Shama Mohammad Miraz ◽  
W.J. Meng ◽  
Bala R. Ramachandran ◽  
Collin D. Wick
Keyword(s):  
Shear Strength ◽  
Interfacial Shear Strength ◽  
Interfacial Shear ◽  
Embedded Atom ◽  
Metal Ceramic ◽  
Atom Potential
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