Recherche - Archive ouverte HAL

40 résultats

	Pour les 40 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 Page suivante	triés par Pertinence Auteur A→Z Auteur Z→A Titre A→Z Titre Z→A Date de publication croissante Date de publication décroissante Date de dépôt croissante Date de dépôt décroissante

		Phonon drag force acting on a mobile crystal defect: Full treatment of discreteness and nonlinearity T D Swinburne , S L Dudarev Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2015, 92 (13) Article dans une revue hal-01961972v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Kink-limited Orowan strengthening explains the brittle to ductile transition of irradiated and unirradiated bcc metals T D Swinburne , S L Dudarev Physical Review Materials, 2018, 2 (7), ⟨10.1103/physrevmaterials.2.073608⟩ Article dans une revue hal-01961960v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Rare events and first passage time statistics from the energy landscape T D Swinburne , Thomas Swinburne , Deepti Kannan , Daniel J Sharpe , David J Wales Journal of Chemical Physics, 2020, 153 (13), pp.134115. ⟨10.1063/5.0016244⟩ Article dans une revue hal-02958853v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Defining, calculating and converging observables of kinetic transition networks T D Swinburne , David J Wales Journal of Chemical Theory and Computation, 2020, ⟨10.1021/acs.jctc.9b01211⟩ Article dans une revue hal-02509389v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Theory of the deformation of aligned polyethylene A. Hammad , T D Swinburne , H. Hasan , S. del Rosso , L. Iannucci , et al. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 2015, 471 (2180), pp.20150171 Article dans une revue hal-01962028v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Uncertainty and anharmonicity in thermally activated dynamics T D Swinburne Computational Materials Science, 2021, 193, pp.110256. ⟨10.1016/j.commatsci.2020.110256⟩ Article dans une revue hal-03215937v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Computing energy barriers for rare events from hybrid quantum/classical simulations through the virtual work principle T D Swinburne , J R Kermode Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2017, 96 (14) Article dans une revue hal-01962008v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Femtosecond quantification of void evolution during rapid material failure James Coakley , Andrew Higginbotham , David Mcgonegle , Jan Ilavsky , T D Swinburne , et al. Science Advances , 2020 Article dans une revue hal-03079063v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Calculation of dislocation binding to helium-vacancy defects in tungsten using hybrid ab initio-machine learning methods Petr Grigorev , Alexandra Goryaeva , Mihai-Cosmin Marinica , James Kermode , Thomas Swinburne Acta Materialia, 2023, 247, pp.118734. ⟨10.1016/j.actamat.2023.118734⟩ Article dans une revue hal-03993850v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Accelerated molecular dynamics simulations of dislocation climb in nickel T D Swinburne , Lauren Fey , Anne Marie Z. Tan , Thomas Swinburne , Danny Perez , et al. Physical Review Materials, 2021, 5 (8), ⟨10.1103/PhysRevMaterials.5.083603⟩ Article dans une revue hal-03379938v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Reaction–drift–diffusion models from master equations: application to material defects Thomas Swinburne , Danny Perez Modelling and Simulation in Materials Science and Engineering, 2022, 30 (3), pp.034004. ⟨10.1088/1361-651X/ac54c5⟩ Article dans une revue hal-03783040v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Collective transport in the discrete Frenkel-Kontorova model T D Swinburne Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2013, 88 (1) Article dans une revue hal-01961966v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Picosecond dynamics of a shock-driven displacive phase transformation in Zr T D Swinburne , M. Glavicic , M. Rahman , N. Jones , J Coakley , et al. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2016, 93 (14) Article dans une revue hal-01961989v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Piezomagnetic switching and complex phase equilibria in uranium dioxide Daniel Antonio , Joel Weiss , Katherine Shanks , Jacob Ruff , Marcelo Jaime , et al. Communications Materials, 2021, 2 (1), ⟨10.1038/s43246-021-00121-6⟩ Article dans une revue hal-03135740v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Self-optimized construction of transition rate matrices from accelerated atomistic simulations with Bayesian uncertainty quantification T D Swinburne , D Perez Physical Review Materials, 2018, 2 (5), pp.053802. ⟨10.1103/physrevmaterials.2.053802⟩ Article dans une revue hal-01962002v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Anharmonic free energy of lattice vibrations in fcc crystals from a mean-field bond T D Swinburne , Jan Janssen , Mira Todorova , Gideon Simpson , Petr Plechac , et al. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2020, ⟨10.1103/PhysRevB.102.100101⟩ Article dans une revue hal-02929762v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Atomistic-to-continuum description of edge dislocation core: Unification of the Peierls-Nabarro model with linear elasticity M Boleininger , T D Swinburne , S L Dudarev Physical Review Materials, 2018, 2 (8), ⟨10.1103/PhysRevMaterials.2.083803⟩ Article dans une revue hal-01962015v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Efficient and transferable machine learning potentials for the simulation of crystal defects in bcc Fe and W Alexandra Goryaeva , Julien Dérès , Clovis Lapointe , Petr Grigorev , T D Swinburne , et al. Physical Review Materials, 2021, 5 (10), pp.103803. ⟨10.1103/PhysRevMaterials.5.103803⟩ Article dans une revue hal-03395915v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Coarse-Graining and Forecasting Atomic Material Simulations with Descriptors T D Swinburne Physical Review Letters, 2023, 131 (23), pp.236101. ⟨10.1103/PhysRevLett.131.236101⟩ Article dans une revue hal-04332114v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Low temperature diffusivity of self-interstitial defects in tungsten T D Swinburne , P-W Ma , S L Dudarev New Journal of Physics, 2017, 19 (7), pp.073024 Article dans une revue hal-01962017v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Interstitialcy-based reordering kinetics of Ni 3 Al precipitates in irradiated Ni-based super alloys Keyvan Ferasat , Peyman Saidi , T D Swinburne , Mark Daymond , Zhongwen Yao , et al. Materialia, 2021, 19, pp.101180. ⟨10.1016/j.mtla.2021.101180⟩ Article dans une revue hal-03379973v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Anharmonic effect on the thermally activated migration of {101̄2} twin interfaces in magnesium Yuji Sato , T D Swinburne , Shigenobu Ogata , David Rodney Materials Research Letters, 2021, 9 (5), pp.231-238. ⟨10.1080/21663831.2021.1875079⟩ Article dans une revue hal-03134087v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Statistical mechanics of kinks on a gliding screw dislocation Max Boleininger , Martin Gallauer , Sergei L Dudarev , T D Swinburne , Daniel R Mason , et al. Physical Review Research, 2020, 2, ⟨10.1103/physrevresearch.2.043254⟩ Article dans une revue hal-03054069v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Capabilities and limits of autoencoders for extracting collective variables in atomistic materials science Jacopo Baima , Alexandra Goryaeva , Thomas Swinburne , Jean-Bernard Maillet , Maylise Nastar , et al. Physical Chemistry Chemical Physics, 2022, https://doi.org/10.1039/D2CP01917E. ⟨10.1039/D2CP01917E⟩ Article dans une revue hal-03783038v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Hybrid quantum/classical study of hydrogen-decorated screw dislocations in tungsten: Ultrafast pipe diffusion, core reconstruction, and effects on glide mechanism Petr Grigorev , T D Swinburne , James R Kermode Physical Review Materials, 2020, 4, ⟨10.1103/PhysRevMaterials.4.023601⟩ Article dans une revue hal-02477131v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Fragility and correlated dynamics in supercooled liquids Thomas Swinburne , Deepti Kannan , Daniel Sharpe , David Wales , Atreyee Banerjee Journal of Chemical Physics, 2020, 153 (12), pp.124501. ⟨10.1063/5.0015091⟩ Article dans une revue hal-03360229v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Optimal dimensionality reduction of Markov chains using graph transformation Deepti Kannan , Daniel Sharpe , T D Swinburne , David Wales Journal of Chemical Physics, 2020, 153 (24), pp.244108. ⟨10.1063/5.0025174⟩ Article dans une revue hal-03090008v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Thermally-activated non-Schmid glide of screw dislocations in W using atomistically-informed kinetic Monte Carlo simulations Alexander Stukowski , T D Swinburne , David Cereceda , Jaime Marian International Journal of Plasticity, 2015, 65, pp.108-130 Article dans une revue hal-01962033v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Automated calculation and convergence of defect transport tensors T D Swinburne , Danny Perez npj Computational Materials, 2020, ⟨10.1038/s41524-020-00463-8⟩ Article dans une revue hal-03053924v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Observation of quantum de-trapping and transport of heavy defects in tungsten Kazuto Arakawa , Mihai-Cosmin Marinica , Steven Fitzgerald , Laurent Proville , Duc Nguyen-Manh , et al. Nature Materials, 2020, 19, pp.508. ⟨10.1038/s41563-019-0584-0⟩ Article dans une revue hal-02457181v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

Filtrer vos résultats

Phonon drag force acting on a mobile crystal defect: Full treatment of discreteness and nonlinearity

Kink-limited Orowan strengthening explains the brittle to ductile transition of irradiated and unirradiated bcc metals

Rare events and first passage time statistics from the energy landscape

Defining, calculating and converging observables of kinetic transition networks

Theory of the deformation of aligned polyethylene

Uncertainty and anharmonicity in thermally activated dynamics

Computing energy barriers for rare events from hybrid quantum/classical simulations through the virtual work principle

Femtosecond quantification of void evolution during rapid material failure

Calculation of dislocation binding to helium-vacancy defects in tungsten using hybrid ab initio-machine learning methods

Accelerated molecular dynamics simulations of dislocation climb in nickel

Reaction–drift–diffusion models from master equations: application to material defects

Collective transport in the discrete Frenkel-Kontorova model

Picosecond dynamics of a shock-driven displacive phase transformation in Zr

Piezomagnetic switching and complex phase equilibria in uranium dioxide

Self-optimized construction of transition rate matrices from accelerated atomistic simulations with Bayesian uncertainty quantification

Anharmonic free energy of lattice vibrations in fcc crystals from a mean-field bond

Atomistic-to-continuum description of edge dislocation core: Unification of the Peierls-Nabarro model with linear elasticity

Efficient and transferable machine learning potentials for the simulation of crystal defects in bcc Fe and W

Coarse-Graining and Forecasting Atomic Material Simulations with Descriptors

Low temperature diffusivity of self-interstitial defects in tungsten

Interstitialcy-based reordering kinetics of Ni 3 Al precipitates in irradiated Ni-based super alloys

Anharmonic effect on the thermally activated migration of {101̄2} twin interfaces in magnesium

Statistical mechanics of kinks on a gliding screw dislocation

Capabilities and limits of autoencoders for extracting collective variables in atomistic materials science

Hybrid quantum/classical study of hydrogen-decorated screw dislocations in tungsten: Ultrafast pipe diffusion, core reconstruction, and effects on glide mechanism

Fragility and correlated dynamics in supercooled liquids

Optimal dimensionality reduction of Markov chains using graph transformation

Thermally-activated non-Schmid glide of screw dislocations in W using atomistically-informed kinetic Monte Carlo simulations

Automated calculation and convergence of defect transport tensors

Observation of quantum de-trapping and transport of heavy defects in tungsten