Resolving vacancy clustering mechanisms in tungsten via machine-learning-potential-based simulations at experimental time scales
Bibliographic record
Abstract
No abstract is available for this record. The assistant can identify its topic from the title, but cannot infer the study’s results.
Source: Not provided · Quality: missing
Research context
OpenAlex topics: Advanced Materials Characterization Techniques · Nuclear Materials and Properties · Advanced materials and composites
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (63)
Show source-provided references
1. Direct observation of mono-vacancy and self-interstitial recovery in tungsten10.1063/1.5082150 ↗
2. Effect of chromium on void swelling in ion irradiated high purity Fe-Cr alloys10.1016/j.actamat.2016.02.027 ↗
3. High temperature annealing of ion irradiated tungsten10.1016/j.actamat.2015.01.067 ↗
4. Molecular dynamics simulations of high-energy radiation damage in W and W–Re alloys10.1016/j.jnucmat.2019.06.027 ↗
5. Precipitation strengthening of aluminum alloys by room-temperature cyclic plasticity10.1126/science.aav7086 ↗
6. The predominant role of strain-induced vacancies in hydrogen embrittlement of steels: overview10.1016/j.actamat.2018.12.013 ↗
7. A quantitative study of vacancy defects in quenched tungsten by combined field-ion microscopy and electrical resistometry
8. Quenching and recovery investigations of vacancies in tungsten
9. Blister bursting and deuterium bursting release from tungsten exposed to high fluences of high flux and low energy deuterium plasma10.1088/0029-5515/47/3/006 ↗
10. Helium induced nanoscopic morphology on tungsten under fusion relevant plasma conditions10.1088/0029-5515/48/3/035001 ↗
11. Irradiation hardening of pure tungsten exposed to neutron irradiation10.1016/j.jnucmat.2016.08.024 ↗
12. Multiscale modeling of crowdion and vacancy defects in body-centered-cubic transition metals10.1103/PhysRevB.76.054107 ↗
13. An empirical potential for simulating vacancy clusters in tungsten10.1088/1361-648X/aa9776 ↗
14. Energetics and dynamics properties of vacancies and their cluster in Tungsten
15. Multiscale modelling of defect kinetics in irradiated iron10.1038/nmat1286 ↗
16. Accurate prediction of vacancy cluster structures and energetics in bcc transition metals10.1016/j.actamat.2021.116860 ↗
17. Vacancy clustering behaviors and stable configurations in vanadium metal : first-principles investigations
18. Ab initio investigation of radiation defects in tungsten : structure of self-interstitials and specificity of di-vacancies compared to other bcc transition metals10.1016/j.jnucmat.2011.08.024 ↗
19. Implantation and desorption of H isotopes in W revisited by object kinetic Monte Carlo simulation10.1016/j.jnucmat.2022.153576 ↗
20. Microstructural evolution of irradiated tungsten: ab initio parameterisation of an OKMC model10.1016/j.jnucmat.2010.06.003 ↗
21. Ab initio investigation of radiation defects in tungsten: structure of self-interstitials and specificity of di-vacancies compared to other bcc transition metals10.1016/j.jnucmat.2011.08.024 ↗
22. On the stability and mobility of di-vacancies in tungsten10.1088/1741-4326/aa99ee ↗
23. Phase stability, point defects, and elastic properties of W-V and W-Ta alloys10.1103/PhysRevB.84.104115 ↗
24. Bridging the gap between theory and experiment in vacancy concentration, C/N/O diffusivity, and divacancy interaction in tungsten: role of vacancy-C/N/O interaction10.1016/j.actamat.2023.119516 ↗
25. Unraveling temperature-induced vacancy clustering in tungsten: from direct microscopy to atomistic insights via data-driven bayesian sampling10.1103/PRXEnergy.4.013008 ↗
26. Structural evolution of vacancy clusters in α -iron: a kinetic activation-relaxation technique study
27. Stability of small vacancy clusters in tungsten by molecular dynamics10.1016/j.nimb.2019.11.044 ↗
28. Shockwave generates < 100 >dislocation loops in bcc iron10.1038/s41467-018-07102-3 ↗
29. Effects of vacancies on plasticity and phase transformation in single-crystal iron under shock loading10.1063/5.0043880 ↗
30. Enhanced radiation tolerance of the Ni-Co-Cr-Fe high-entropy alloy as revealed from primary damage10.1016/j.actamat.2020.06.027 ↗
31. Predictive model of hydrogen trapping and bubbling in nanovoids in bcc metals10.1038/s41563-019-0422-4 ↗
32. Investigating the formation mechanism of void lattice in tungsten under neutron irradiation: from collision cascades to ordered nanovoids10.1016/j.actamat.2021.117239 ↗
33. Deuterium trapping and desorption by vacancy clusters in irradiated Mo from object kinetic Monte Carlo simulations10.1016/j.actamat.2024.120014 ↗
34. Initial microstructure and temperature dependence of irradiation defects evolution in tungsten10.1016/j.jnucmat.2024.154932 ↗
35. On the capabilities of k-ART over MD for the study of the kinetics of small point defect clusters in α-Fe10.1016/j.jnucmat.2024.155444 ↗
36. Kinetics of hydrogen and vacancy diffusion in iron: a kinetic activation relaxation technique (k-ART) study
37. Mechanism of void nucleation and growth in bcc Fe: atomistic simulations at experimental time scales10.1103/PhysRevLett.106.125501 ↗
38. Comment on “mechanism of void nucleation and growth in bcc Fe: atomistic simulations at experimental time scales10.1103/PhysRevLett.108.219601 ↗
39. Defect evolution in single crystalline tungsten following low temperature and low dose neutron irradiation10.1016/j.jnucmat.2015.12.040 ↗
40. Cluster dynamics modeling of accumulation and diffusion of helium in neutron irradiated tungsten10.1016/j.jnucmat.2011.12.015 ↗
41. EON: software for long time simulations of atomic scale systems10.1088/0965-0393/22/5/055002 ↗
42. A climbing image nudged elastic band method for finding saddle points and minimum energy paths10.1063/1.1329672 ↗
43. Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points10.1063/1.1323224 ↗
44. Fast parallel algorithms for short-range molecular dynamics10.1006/jcph.1995.1039 ↗
45. Ab initio molecular dynamics for liquid metals10.1103/PhysRevB.47.558 ↗
46. Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium10.1103/PhysRevB.49.14251 ↗
47. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
48. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
49. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
50. Projector augmented-wave method10.1103/PhysRevB.50.17953 ↗
51. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
52. Special points for Brillouin-zone integrations10.1103/PhysRevB.13.5188 ↗
53. Large-scale machine-learning molecular dynamics simulation of primary radiation damage in tungsten
54. Neuroevolution machine learning potentials: combining high accuracy and low cost in atomistic simulations and application to heat transport10.1103/PhysRevB.104.104309 ↗
55. Machine-learning interatomic potential for radiation damage and defects in tungsten10.1103/PhysRevB.100.144105 ↗
56. New interatomic potentials of W, re and W-re alloy for radiation defects10.1016/j.jnucmat.2018.01.059 ↗
57. Interatomic potentials for simulation of He bubble formation in W10.1016/j.jnucmat.2012.07.023 ↗
58. An empirical potential for simulating vacancy clusters in tungsten10.1088/1361-648X/aa9776 ↗
59. Interatomic potentials for modelling radiation defects and dislocations in tungsten10.1088/0953-8984/25/39/395502 ↗
60. Collective atomic displacements during complex phase boundary migration in solid-solid phase transformations10.1103/PhysRevLett.116.035701 ↗
61. Mean square displacements with error estimates from non-equidistant time-step kinetic Monte Carlo simulations10.1016/j.cpc.2015.02.006 ↗
62. Nucleation: theory and applications to protein solutions and colloidal suspensions10.1088/0953-8984/19/3/033101 ↗
63. Parameter-free quantitative simulation of high-dose microstructure and hydrogen retention in ion-irradiated tungsten