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Classical and machine learning interatomic potentials for BCC vanadium

https://doi.org/10.1103/physrevmaterials.6.113603
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Dislocation substructures in the anomalous slip plane of single crystal niobium strained at 50 K
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Slip plane choice in vanadium at deformation temperatures T ⩽ 0.15Tm
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Anomalous slip in high-purity vanadium crystals deformed in compression
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Suppression of anomalous slip by oxygen interstitials in vanadium
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Orientation dependence of slip in niobium single crystals at 4.2 and 77 K
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Theory of kink migration in dilute BCC alloys
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Theoretical investigation of the 70.5 ° mixed dislocations in body-centered cubic transition metals
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Semi-empirical atomistic study of point defect properties in BCC transition metals
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Modified embedded-atom method potential of niobium for studies on mechanical properties
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MEAM interatomic potential for thermodynamic and mechanical properties of lithium allotropes
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DeePMD-kit: A deep learning package for many-body potential energy representation and molecular dynamics
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LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
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Brittle–ductile transitions in vanadium and iron–chromium
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Recent progress in research on tungsten materials for nuclear fusion applications in Europe
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First principles phonon calculations in materials science
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Interatomic bond-order potentials and structural prediction
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The plastic properties of high-purity W single crystals
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Microstructure of high-strain, high-strain-rate deformed tantalum
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DP Compress: A Model Compression Scheme for Generating Efficient Deep Potential Models
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Complex strengthening mechanisms in the NbMoTaW multi-principal element alloy
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Specialising neural network potentials for accurate properties and application to the mechanical response of titanium
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Magnetic Moment Tensor Potentials for collinear spin-polarized materials reproduce different magnetic states of bcc Fe
inferredcites →https://doi.org/10.1063/1.1555275openalex-snapshot
Interatomic potential for vanadium suitable for radiation damage simulations
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Constant pressure molecular dynamics algorithms
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Neural network models of potential energy surfaces
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SchNet – A deep learning architecture for molecules and materials
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Orbital localization error of density functional theory in shear properties of vanadium and niobium
inferredcites →https://doi.org/10.1073/pnas.0707377104openalex-snapshot
Unusual lattice dynamics of vanadium under high pressure
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Singular orientations and faceted motion of dislocations in body-centered cubic crystals
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Density functional theory studies of screw dislocation core structures in bcc metals
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Plastic homology of bcc metals
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Core polarity of screw dislocations in Fe–Co alloys
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Intrinsic stacking faults in body-centred cubic crystals
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A detailed study of the deformation of high purity niobium single crystals
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Anomalous slip in high-purity niobium single crystals deformed at 77°K in tension
inferredcites →https://doi.org/10.1080/14786437308220966openalex-snapshot
Anomalous slip in high-purity vanadium crystals
inferredcites →https://doi.org/10.1080/14786437608221120openalex-snapshot
Stress-strain curves for niobium crystals deformed at temperatures below ambient
inferredcites →https://doi.org/10.1088/0953-8984/25/39/395502openalex-snapshot
Interatomic potentials for modelling radiation defects and dislocations in tungsten
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Assessment of interatomic potentials for atomistic analysis of static and dynamic properties of screw dislocations in W
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Modified embedded atom potentials for HCP metals
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Magnesium interatomic potential for simulating plasticity and fracture phenomena
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Bond-order potentials: derivation and parameterization for refractory elements
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A multi-state modified embedded atom method potential for titanium
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Direct prediction of the solute softening-to-hardening transition in W–Re alloys using stochastic simulations of screw dislocation motion
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A tungsten deep neural-network potential for simulating mechanical property degradation under fusion service environment
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Thermal expansion of vanadium in the temperature range of 98–2400 K
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Computer Simulations of Dislocations
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Elastic Moduli of Vanadium
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Special points for Brillouin-zone integrations
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Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals
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High-precision sampling for Brillouin-zone integration in metals
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Semiempirical modified embedded-atom potentials for silicon and germanium
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Theory of elastic constants of cubic transition metals and alloys
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Melting line of aluminum from simulations of coexisting phases
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Projector augmented-wave method
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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From ultrasoft pseudopotentials to the projector augmented-wave method
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Second nearest-neighbor modified embedded-atom-method potential
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Second nearest-neighbor modified embedded atom method potentials for bcc transition metals
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Semiempirical atomic potentials for the fcc metals Cu, Ag, Au, Ni, Pd, Pt, Al, and Pb based on first and second nearest-neighbor modified embedded atom method
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Modified embedded-atom method interatomic potentials for Ti and Zr
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Multistate modified embedded atom method
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Multiscale modeling of crowdion and vacancy defects in body-centered-cubic transition metals
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Simulation of the interaction between Fe impurities and point defects in V
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Lattice dynamics of vanadium: Inelastic x-ray scattering measurements
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Assessing the performance of recent density functionals for bulk solids
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Ab initiobased empirical potential used to study the mechanical properties of molybdenum
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Peierls potential of screw dislocations in bcc transition metals: Predictions from density functional theory
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On representing chemical environments
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Screened empirical bond-order potentials for Si-C
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Ab initiomodeling of the two-dimensional energy landscape of screw dislocations in bcc transition metals
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Necessary and sufficient elastic stability conditions in various crystal systems
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Group-theoretical high-order rotational invariants for structural representations: Application to linearized machine learning interatomic potential
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Gaussian Approximation Potentials: The Accuracy of Quantum Mechanics, without the Electrons
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Effect of Rhenium on the Dislocation Core Structure in Tungsten
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Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics
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Application of the Embedded-Atom Method to Covalent Materials: A Semiempirical Potential for Silicon
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Generalized Gradient Approximation Made Simple
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Ab InitioStudy of Screw Dislocations in Mo and Ta: A New Picture of Plasticity in bcc Transition Metals
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Generalized Neural-Network Representation of High-Dimensional Potential-Energy Surfaces
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Thermomechanical response of NiTi shape-memory nanoprecipitates in TiV alloys
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Achieving DFT accuracy with a machine-learning interatomic potential: Thermomechanics and defects in bcc ferromagnetic iron
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Geometries of edge and mixed dislocations in bcc Fe from first-principles calculations
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Universality of point defect structure in body-centered cubic metals
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Effect of stress on vacancy formation and migration in body-centered-cubic metals
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Neural network atomic potential to investigate the dislocation dynamics in bcc iron
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Gaussian approximation potentials for body-centered-cubic transition metals
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Simple machine-learned interatomic potentials for complex alloys
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Controlling Factors for the Brittle-to-Ductile Transition in Tungsten Single Crystals
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Reproducibility in density functional theory calculations of solids
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Slip planes in bcc transition metals
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Dislocations with edge components in nanocrystalline bcc Mo
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Interplay of slip and twinning in niobium single crystals compressed at 77 K
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Bond order potentials for fracture, wear, and plasticity
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What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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