This dataset allows reproducing the results from the article "The N-body interatomic potential for molecular dynamics simulations of diffusion in tungsten
Interatomic potentials are widely used in computational materials science, in particular for simulat...
Molecular Dynamics is a two-volume compendium of the ever-growing applications of molecular dynamics...
We present a new classical interatomic potential designed for simulation of the W-Mo-Nb system. The ...
Tungsten, as the most refractory metal, is applied in fusion reactor in parts subjected to high temp...
The results of atomistic simulations of migration and formation energies of mono- and di-vacancies i...
Texto completo: acesso restrito. p. 191–197The results of atomistic simulations of migration and for...
This work is devoted to simulation of the diffusion features of point defects in bcc metals. The pro...
Effective interatomic potentials are frequently utilized for large-scale simulations of materials. I...
In this work, we develop a machine-learning interatomic potential for WxMo1−x random alloys. The pot...
This thesis deals with discussions on the motivation and approach for discovering new interatomic po...
A new interatomic potential for dissociative water was developed for use in molecular dynamics simul...
The molecular dynamics technique was developed in the 1960s as the outgrowth of attempts to model co...
This thesis discusses a general method for constructing interatomic potentials for crystal lattices ...
One of the merits of molecular dynamics simulation using classical interatomic potential function is...
Raw data relevant to the GAP interatomic potential model described in the publication, including out...
Interatomic potentials are widely used in computational materials science, in particular for simulat...
Molecular Dynamics is a two-volume compendium of the ever-growing applications of molecular dynamics...
We present a new classical interatomic potential designed for simulation of the W-Mo-Nb system. The ...
Tungsten, as the most refractory metal, is applied in fusion reactor in parts subjected to high temp...
The results of atomistic simulations of migration and formation energies of mono- and di-vacancies i...
Texto completo: acesso restrito. p. 191–197The results of atomistic simulations of migration and for...
This work is devoted to simulation of the diffusion features of point defects in bcc metals. The pro...
Effective interatomic potentials are frequently utilized for large-scale simulations of materials. I...
In this work, we develop a machine-learning interatomic potential for WxMo1−x random alloys. The pot...
This thesis deals with discussions on the motivation and approach for discovering new interatomic po...
A new interatomic potential for dissociative water was developed for use in molecular dynamics simul...
The molecular dynamics technique was developed in the 1960s as the outgrowth of attempts to model co...
This thesis discusses a general method for constructing interatomic potentials for crystal lattices ...
One of the merits of molecular dynamics simulation using classical interatomic potential function is...
Raw data relevant to the GAP interatomic potential model described in the publication, including out...
Interatomic potentials are widely used in computational materials science, in particular for simulat...
Molecular Dynamics is a two-volume compendium of the ever-growing applications of molecular dynamics...
We present a new classical interatomic potential designed for simulation of the W-Mo-Nb system. The ...
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