A tungsten-rhenium interatomic potential for point defect studies

Atomistic simulation of Si-Au melt crystallization with novel interatomic potential

(2018) S.V. Starikov et al.   COMPUTATIONAL MATERIALS SCIENCE

Embedded atom method potentials for Ce-Ni binary alloy

(2018) Yawei Lei et al.   COMPUTATIONAL MATERIALS SCIENCE

Study of hydrogen-molecule guests in type II clathrate hydrates using a force-matched potential model parameterised from ab initio molecular dynamics

(2018) Christian J. Burnham et al.   JOURNAL OF CHEMICAL PHYSICS

New interatomic potentials of W, Re and W-Re alloy for radiation defects

(2018) Yangchun Chen et al.   JOURNAL OF NUCLEAR MATERIALS

Object kinetic Monte Carlo model for neutron and ion irradiation in tungsten: Impact of transmutation and carbon impurities

(2018) N. Castin et al.   JOURNAL OF NUCLEAR MATERIALS

Simulating irradiation hardening in tungsten under fast neutron irradiation including Re production by transmutation

(2018) Chen-Hsi Huang et al.   JOURNAL OF NUCLEAR MATERIALS

Atomistic simulation of cubic and tetragonal phases of U-Mo alloy: Structure and thermodynamic properties

(2018) S.V. Starikov et al.   JOURNAL OF NUCLEAR MATERIALS

Interplay between Polarizability and Hydrogen Bond Network of Water: Reparametrizing the Flexible Single-Point-Charge Water Model by the Nonlinear Adaptive Force Matching Approach

(2018) I-Shou Huang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Revealing the Mechanism of Sodium Diffusion in NaxFePO4 Using an Improved Force Field

(2018) Mauricio R. Bonilla et al.   Journal of Physical Chemistry C

Interatomic potential to study plastic deformation in tungsten-rhenium alloys

(2017) G. Bonny et al.   JOURNAL OF APPLIED PHYSICS

ChIMES: A Force Matched Potential with Explicit Three-Body Interactions for Molten Carbon

(2017) Rebecca K. Lindsey et al.   Journal of Chemical Theory and Computation

Ab initio study of interstitial cluster interaction with Re, Os, and Ta in W

(2017) Wahyu Setyawan et al.   JOURNAL OF NUCLEAR MATERIALS

Spatial heterogeneity of tungsten transmutation in a fusion device

(2017) M.R. Gilbert et al.   NUCLEAR FUSION

Development of advanced high heat flux and plasma-facing materials

(2017) Ch. Linsmeier et al.   NUCLEAR FUSION

European DEMO design strategy and consequences for materials

(2017) G. Federici et al.   NUCLEAR FUSION

Cascade fragmentation: deviation from power law in primary radiation damage

(2017) A. E. Sand et al.   Materials Research Letters

The role of interstitial binding in radiation induced segregation in W-Re alloys

(2016) Leili Gharaee et al.   JOURNAL OF APPLIED PHYSICS

Using Force Matching To Determine Reactive Force Fields for Water under Extreme Thermodynamic Conditions

(2016) Lucas Koziol et al.   Journal of Chemical Theory and Computation

Non-equilibrium properties of interatomic potentials in cascade simulations in tungsten

(2016) A.E. Sand et al.   JOURNAL OF NUCLEAR MATERIALS

Defect evolution in single crystalline tungsten following low temperature and low dose neutron irradiation

(2016) Xunxiang Hu et al.   JOURNAL OF NUCLEAR MATERIALS

Irradiation hardening of pure tungsten exposed to neutron irradiation

(2016) Xunxiang Hu et al.   JOURNAL OF NUCLEAR MATERIALS

Neutron irradiation effects on the microstructural development of tungsten and tungsten alloys

(2016) Akira Hasegawa et al.   JOURNAL OF NUCLEAR MATERIALS

Development of Xe and Kr empirical potentials for CeO2, ThO2, UO2and PuO2, combining DFT with high temperature MD

(2016) M W D Cooper et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Suppression of radiation-induced point defects by rhenium and osmium interstitials in tungsten

(2016) Tomoaki Suzudo et al.   Scientific Reports

Migration of rhenium and osmium interstitials in tungsten

(2015) Tomoaki Suzudo et al.   JOURNAL OF NUCLEAR MATERIALS

A first-principles investigation of interstitial defects in dilute tungsten alloys

(2015) Leili Gharaee et al.   JOURNAL OF NUCLEAR MATERIALS

Displacement cascades and defects annealing in tungsten, Part I: Defect database from molecular dynamics simulations

(2015) Wahyu Setyawan et al.   JOURNAL OF NUCLEAR MATERIALS

Cascade morphology transition in bcc metals

(2015) Wahyu Setyawan et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Classical interaction potentials for diverse materials fromab initiodata: a review ofpotfit

(2015) Peter Brommer et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

First-principles calculations of transition metal–solute interactions with point defects in tungsten

(2014) Xiang-Shan Kong et al.   ACTA MATERIALIA

Neutron irradiation effects on tungsten materials

(2014) Akira Hasegawa et al.   FUSION ENGINEERING AND DESIGN

Stability and mobility of rhenium and osmium in tungsten: first principles study

(2014) T Suzudo et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Many-body central force potentials for tungsten

(2014) G Bonny et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Computer simulation of displacement cascades in tungsten with modified F–S type potential

(2013) Baoqin Fu et al.   JOURNAL OF NUCLEAR MATERIALS

Recent progress in R&D on tungsten alloys for divertor structural and plasma facing materials

(2013) S. Wurster et al.   JOURNAL OF NUCLEAR MATERIALS

Interatomic potentials for modelling radiation defects and dislocations in tungsten

(2013) M-C Marinica et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

A modified W–W interatomic potential based onab initiocalculations

(2013) J Wang et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

First principles study of foreign interstitial atom (carbon, nitrogen) interactions with intrinsic defects in tungsten

(2012) Xiang-Shan Kong et al.   JOURNAL OF NUCLEAR MATERIALS

Recent progress in research on tungsten materials for nuclear fusion applications in Europe

(2012) M. Rieth et al.   JOURNAL OF NUCLEAR MATERIALS

Interatomic potentials for simulation of He bubble formation in W

(2012) N. Juslin et al.   JOURNAL OF NUCLEAR MATERIALS

The influence of transition metal solutes on the dislocation core structure and values of the Peierls stress and barrier in tungsten

(2012) G D Samolyuk et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Quantum effect on thermally activated glide of dislocations

(2012) Laurent Proville et al.   NATURE MATERIALS

Ab initio investigation of radiation defects in tungsten: Structure of self-interstitials and specificity of di-vacancies compared to other bcc transition metals

(2011) Lisa Ventelon et al.   JOURNAL OF NUCLEAR MATERIALS

Neutron-induced transmutation effects in W and W-alloys in a fusion environment

(2011) M.R. Gilbert et al.   NUCLEAR FUSION

Screw dislocation mobility in BCC Metals: a refined potential description for α-Fe

(2011) P.A. Gordon et al.   PHILOSOPHICAL MAGAZINE

Recent US activities on advanced He-cooled W-alloy divertor concepts for fusion power plants

(2010) M.S. Tillack et al.   FUSION ENGINEERING AND DESIGN

Bond-order potential for point and extended defect simulations in tungsten

(2010) T. Ahlgren et al.   JOURNAL OF APPLIED PHYSICS

Microstructural evolution of irradiated tungsten: Ab initio parameterisation of an OKMC model

(2010) C.S. Becquart et al.   JOURNAL OF NUCLEAR MATERIALS

Screw dislocation mobility in BCC metals: the role of the compact core on double-kink nucleation

(2010) P A Gordon et al.   MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING

Simulation of cascades in tungsten–helium

(2010) N. Juslin et al.   PHILOSOPHICAL MAGAZINE

Hydrogen interaction with point defects in tungsten

(2010) K. Heinola et al.   PHYSICAL REVIEW B

Effect of Rhenium on the Dislocation Core Structure in Tungsten

(2010) Lorenz Romaner et al.   PHYSICAL REVIEW LETTERS

Calculations of single-crystal elastic constants made simple

(2009) R. Yu et al.   COMPUTER PHYSICS COMMUNICATIONS

First principles calculations of the σ and χ phases in the Mo–Re and W–Re systems

(2009) J-C Crivello et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Modelling radiation effects using the ab-initio based tungsten and vanadium potentials

(2009) C. Björkas et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

Molecular dynamics simulation of radiation damage in bcc tungsten

(2008) J. Fikar et al.   JOURNAL OF NUCLEAR MATERIALS