Large-scale molecular-dynamics simulations of martensitic nucleation and shape-memory effects in transition metal alloys

1998 ◽  
Vol 65 (1-4) ◽  
pp. 79-108 ◽  
Author(s):  
P. Entel ◽  
K. Kadau ◽  
R. Meyer ◽  
H. C. Herper ◽  
M. Schröter ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Transition Metal ◽  
Shape Memory ◽  
Molecular Dynamics Simulations ◽  
Large Scale ◽  
Metal Alloys ◽  
Transition Metal Alloys ◽  
Shape Memory Effects ◽  
Dynamics Simulations ◽  
Martensitic Nucleation

A Tight-Binding-Bond Approach to Interatomic Forces in Disordered Transition Metal Alloys

1992 ◽  
Vol 291 ◽  
Author(s):  
A. Pasturel
Keyword(s):  
Molecular Dynamics ◽  
Transition Metal ◽  
Aluminium Alloys ◽  
Bond Order ◽  
Tight Binding ◽  
Bethe Lattice ◽  
Metal Alloys ◽  
Transition Metal Alloys ◽  
Dynamics Simulations ◽  
Disordered Alloy

ABSTRACTA tight-binding-bond approach to interatomic forces in disordered transition metal-Aluminium alloys is presented. The bond-order is calculated on a Bethe lattice reference system, well adapted to topologically disordered alloy. It is shown that the bond-order depends strongly on the strength of the pd hybridization in the AB alloy, leading to non additive potentials with a strong preference for the formation of pair of unlike atoms and short bond-distances in the A-B pairs. This is illustrated by studying the structural properties of liquid Al80Ni20 and Al80Mn20 alloys using molecular dynamics simulations and by comparing our results with the available experimental ones.

scholarly journals Large-scale molecular dynamics simulations of TiN/TiN(001) epitaxial film growth

2016 ◽  
Vol 34 (4) ◽  
pp. 041509 ◽  
Author(s):  
Daniel Edström ◽  
Davide G. Sangiovanni ◽  
Lars Hultman ◽  
Ivan Petrov ◽  
J. E. Greene ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Large Scale ◽  
Epitaxial Film ◽  
Film Growth ◽  
Dynamics Simulations ◽  
Epitaxial Film Growth

scholarly journals Bimodal Grain-Size Scaling of Thermal Transport in Polycrystalline Graphene from Large-Scale Molecular Dynamics Simulations

Nano Letters ◽  
2017 ◽  
Vol 17 (10) ◽  
pp. 5919-5924 ◽  
Author(s):  
Zheyong Fan ◽  
Petri Hirvonen ◽  
Luiz Felipe C. Pereira ◽  
Mikko M. Ervasti ◽  
Ken R. Elder ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Grain Size ◽  
Molecular Dynamics Simulations ◽  
Thermal Transport ◽  
Large Scale ◽  
Size Scaling ◽  
Dynamics Simulations ◽  
Bimodal Grain Size

Large-scale molecular dynamics simulations of nanomachining

2017 ◽  
pp. 141-177 ◽  
Author(s):  
Stefan J. Eder ◽  
Ulrike Cihak-Bayr ◽  
Davide Bianchi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Large Scale ◽  
Dynamics Simulations

Large-Scale Molecular Dynamics Simulations of Energetic Ni Nanocluster Impact onto the Surface

2008 ◽  
Vol 19 (2) ◽  
pp. 411-419 ◽  
Author(s):  
K. Mirabbaszadeh ◽  
E. Zaminpayma ◽  
P. Nayebi ◽  
S. Saramad
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Large Scale ◽  
Dynamics Simulations
Sign in / Sign up

Export Citation Format

Share Document