Results 161 to 170 of about 1,890 (205)

Kohelet wraz z komentarzem Meam loez

, 2007
openaire   +1 more source

The effect of carbon vacancy on the properties of ZrC by MEAM potentials

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry
A novel second-nearest-neighbor (2NN) modified embedded atom method (MEAM) potential for Zr-C system has been developed. The lattice constants, formation enthalpy, mechanical properties of stoichiometric ZrC have been reproduced.
Yifang Ouyang, Meiling Xiong, Hongmei Chen   +2 more
exaly   +3 more sources

Atomic interaction of the MEAM type for the study of intermetallics in the Al–U alloy [PDF]

Journal of Nuclear Materials, 2015
Interaction for both pure Al and Al–U alloys of the MEAM type are developed. The obtained Al interatomic potential assures its compatibility with the details of the framework presently adopted.
M I Pascuet, J R Fernández
exaly   +2 more sources

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Development of a 2NN-MEAM potential for boron

Journal of Micromechanics and Molecular Physics, 2020
In this paper, we present the first work in developing a second nearest-neighbor modified embedded atom method (2NN-MEAM) potential function that can be used to model interatomic interactions in both [Formula: see text] boron and [Formula: see text] boron polymorphs. To fit the potential parameters by optimization, some physical properties and elastic
Siamak Attarian, Shaoping Xiao
openaire   +1 more source

MEAM-based MD calculations of melting temperature for Fe

Journal of Molecular Modeling, 2020
The molecular dynamics (MD) simulations were applied to the melting transition of the BCC metal Fe using the modified embedded atom method (MEAM) potential proposed by Jin et al. [Appl. Phys. A120 (2015) 189], and the newly derived formulas were adopted to calculate the forces acting on atoms in the MD simulations.
Hak-Son Jin, Se-Won Kim, Kyong-Chol Kim, He Yang   +3 more
openaire   +2 more sources

Optimizing the MEAM potential for silicon

Modelling and Simulation in Materials Science and Engineering, 2010
By applying simulated annealing techniques we fit the modified embedded atom method (MEAM) potential to a database of ab initio energies for silicon and construct an improved parametrization of this potential. In addition, we introduce a new, reference-free version of the MEAM potential. This MEAM version is also fitted to the silicon data and shows an
Maria Timonova, Barend J Thijsse
openaire   +1 more source

Structural and thermal properties of calcium using an MEAM potential

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry, 2011
Abstract Structural and thermal properties of Ca are examined using a modified embedded-atom method (MEAM) interatomic potential. We developed an MEAM interatomic potential for calcium (Ca) using a first-principles method based on density functional theory (DFT).
Amitava Moitra, Seong-Gon Kim, M F Horstemeyer   +2 more
exaly   +2 more sources

An analytic MEAM model for all BCC transition metals

Physica B: Condensed Matter, 1999
A new pair potential is proposed, and a new analytic MEAM is developed by adding a modification term to total energy with the pair potential. The model can reproduce the shear moduli of all BCC transition metals accurately, especially the negative Cauchy pressure for the metal Cr.
Zhang Bangwei, Liao Shuzhi
exaly   +2 more sources

Interfacial studies using the EAM and MEAM

Interface Science, 1997
A brief review of our current applications of the Embedded Atom Method (EAM) and Modified Embedded Atom Method (MEAM) is given in this paper as they relate to the structure of interfaces in materials. The EAM is used to consider the effect of hydrogen on the structure and properties of boundaries in nickel and nickel aluminide (Ni3Al).
JamesE. Angelo, MichaelI. Baskes
openaire   +1 more source