Search Results - "Byggmästar, Jesper"

Complex Ga2O3 polymorphs explored by accurate and general-purpose machine-learning interatomic potentials by Zhao, Junlei, Byggmästar, Jesper, He, Huan, Nordlund, Kai, Djurabekova, Flyura, Hua, Mengyuan

“…Ga 2 O 3 is a wide-band gap semiconductor of emergent importance for applications in electronics and optoelectronics. However, vital information of the…”
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Solubility of Hydrogen in a WMoTaNbV High-Entropy Alloy by Liski, Anna, Vuoriheimo, Tomi, Byggmästar, Jesper, Mizohata, Kenichiro, Heinola, Kalle, Ahlgren, Tommy, Tseng, Ko-Kai, Shen, Ting-En, Tsai, Che-Wei, Yeh, Jien-Wei, Nordlund, Kai, Djurabekova, Flyura, Tuomisto, Filip

“…The WMoTaNbV alloy has shown promise for applications as a solid state hydrogen storage material. It absorbs significant quantities of H directly from the…”
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A Radial Distribution Function Based Recognition Algorithm of Point Defects in Large-Scale β‑Ga2O3 Systems by Yan, Mengzhi, Zhao, Junlei, Byggmästar, Jesper, Djurabekova, Flyura, Xu, Zongwei

“…The atomic configurations and concentrations of intrinsic defects profoundly influence the electrical and optical properties of the semiconductor materials…”
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Efficient atomistic simulations of radiation damage in W and W–Mo using machine-learning potentials by Koskenniemi, Mikko, Byggmästar, Jesper, Nordlund, Kai, Djurabekova, Flyura

“…The Gaussian approximation potential (GAP) is an accurate machine-learning interatomic potential that was recently extended to include the description of…”
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Cascade overlap with vacancy-type defects in Fe by Granberg, Fredric, Byggmästar, Jesper, Nordlund, Kai

“…In order to understand the effect of irradiation on the material properties, we need to look into the atomistic evolution of the system during the recoil…”
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Effects of lattice and mass mismatch on primary radiation damage in W-Ta and W-Mo binary alloys by Wei, Guanying, Byggmästar, Jesper, Cui, Junzhi, Nordlund, Kai, Ren, Jingli, Djurabekova, Flyura

“…The fundamental mechanisms of radiation damage in metal alloys of equiatomic composition are of great research interest due to the possibility to use them as…”
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Understanding the RBS/c spectra of irradiated tungsten: A computational study by Bruncrona, Andreas, Wu, Jintong, Jin, Xin, Byggmästar, Jesper, Granberg, Fredric

“…Understanding and identifying the defect structure of irradiated materials is of utmost importance to understand the properties of the material. Many…”
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Interatomic force fields for zirconium based on the embedded atom method and the tabulated Gaussian Approximation Potential by Luo, Yu, Byggmästar, Jesper, Daymond, Mark R., Béland, Laurent Karim

“…The accuracy of interatomic interaction potentials – also known as force fields – is the main factor determining the physical soundness of classical molecular…”
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Comprehensive structural changes in nanoscale-deformed silicon modelled with an integrated atomic potential by Abram, Rafal, Chrobak, Dariusz, Byggmästar, Jesper, Nordlund, Kai, Nowak, Roman

“…In spite of remarkable developments in the field of advanced materials, silicon remains one of the foremost semiconductors of the day. Of enduring relevance to…”
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A Radial Distribution Function Based Recognition Algorithm of Point Defects in Large-Scale β-Ga 2 O 3 Systems by Yan, Mengzhi, Zhao, Junlei, Byggmästar, Jesper, Djurabekova, Flyura, Xu, Zongwei

“…The atomic configurations and concentrations of intrinsic defects profoundly influence the electrical and optical properties of the semiconductor materials…”
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Threshold displacement energy map of Frenkel pair generation in β-Ga2O3 from machine-learning-driven molecular dynamics simulations by He, Huan, Zhao, Junlei, Byggmästar, Jesper, He, Ru, Nordlund, Kai, He, Chaohui, Djurabekova, Flyura

“…β-gallium oxide (β-Ga2O3) shows great promise for electronics applications, particularly, in future space operating devices exposed to harsh radiation…”
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Revealing the critical role of vanadium in radiation damage of tungsten-based alloys by Wei, Guanying, Byggmästar, Jesper, Cui, Junzhi, Nordlund, Kai, Ren, Jingli, Djurabekova, Flyura

“…Refractory tungsten-based medium- and high-entropy alloys form a promising class of strong, heat- and radiation-resistant materials for nuclear applications…”
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Sputtering of beryllium oxide by deuterium at various temperatures simulated with molecular dynamics by Hodille, E A, Byggmästar, J, Safi, E, Nordlund, K

“…The sputtering yield of beryllium oxide (BeO) by incident deuterium (D) ions, for energies from 10 eV to 200 eV, has been calculated for temperatures between…”
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Threshold displacement energies in refractory high-entropy alloys by Byggmästar, Jesper, Djurabekova, Flyura, Nordlund, Kai

“…Refractory high-entropy alloys show promising resistance to irradiation, yet little is known about the fundamental nature of radiation-induced defect…”
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Fast and accurate machine-learned interatomic potentials for large-scale simulations of Cu, Al and Ni by Fellman, Aslak, Byggmästar, Jesper, Granberg, Fredric, Nordlund, Kai, Djurabekova, Flyura

“…Machine learning (ML) has become widely used in the development of interatomic potentials for molecular dynamics simulations. However, most ML potentials are…”
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Dynamical stability of radiation-induced C15 clusters in iron by Byggmästar, Jesper, Granberg, Fredric

“…Density functional theory predicts clusters in the form of the C15 Laves phase to be the most stable cluster of self-interstitials in iron at small sizes. The…”
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Ultrahigh Stability of O-Sublattice in $\beta$-Ga$_2$O$_3 by He, Ru, Zhao, Junlei, Byggmästar, Jesper, He, Huan, Djurabekova, Flyura

“…Physical Review Materials 8.8 (2024): 084601 Recently reported remarkably high radiation tolerance of $\gamma$/$\beta$-Ga$_2$O$_3$ double-polymorphic structure…”
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Simple machine-learned interatomic potentials for complex alloys by Byggmästar, Jesper, Nordlund, Kai, Djurabekova, Flyura

“…Phys. Rev. Materials 6, 083801 (2022) Developing data-driven machine-learning interatomic potentials for materials containing many elements becomes…”
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Efficient atomistic simulations of radiation damage in W and W-Mo using machine-learning potentials by Koskenniemi, Mikko, Byggmästar, Jesper, Nordlund, Kai, Djurabekova, Flyura

“…The Gaussian approximation potential (GAP) is an accurate machine-learning interatomic potential that was recently extended to include the description of…”
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Modeling refractory high-entropy alloys with efficient machine-learned interatomic potentials: defects and segregation by Byggmästar, Jesper, Nordlund, Kai, Djurabekova, Flyura

“…Phys. Rev. B 104, 104101 (2021) We develop a fast and accurate machine-learned interatomic potential for the Mo-Nb-Ta-V-W quinary system and use it to study…”
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