المؤلفون: Athenes, Manuel, Kaur, Savneet, Adjanor, Gilles, Vanacker, Thomas, Jourdan, Thomas

المساهمون: Service de recherches de métallurgie physique (SRMP), Département des Matériaux pour le Nucléaire (DMN), CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, EDF (EDF)

المصدر: ISSN: 2475-9953 ; Physical Review Materials ; https://cea.hal.science/cea-02443620Test ; Physical Review Materials, 2019, 3 (10), pp.103802. ⟨10.1103/PhysRevMaterials.3.103802⟩.

مصطلحات موضوعية: [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]

الوصف: International audience ; The microstructural evolution of metals and alloys is governed by the diffusion of defects over complex energy landscapes. Whenever metastability occurs in atomistic simulations, well-separated time scales emerge making it necessary to implement event-based kinetic models at larger scales. The crucial task then involves characterizing the important events contributing to mass transport. We herein describe fast first-passage algorithms based on the theory of absorbing Markov chains assuming that defects undergo reversible diffusion. We show that the absorbing transition rate matrix can be transformed into a symmetric definite-positive matrix enabling us to implement direct and iterative sparse solvers. The efficiency of the approach is demonstrated with direct computations of elastodiffusion properties around a cavity in Aluminum and Monte Carlo computations of cluster diffusivity in low alloyed Manganese steels.

العلاقة: cea-02443620; https://cea.hal.science/cea-02443620Test; https://cea.hal.science/cea-02443620/documentTest; https://cea.hal.science/cea-02443620/file/article.pdfTest

الإتاحة: https://doi.org/10.1103/PhysRevMaterials.3.103802Test
https://cea.hal.science/cea-02443620Test
https://cea.hal.science/cea-02443620/documentTest
https://cea.hal.science/cea-02443620/file/article.pdfTest

المؤلفون: Athenes, Manuel, Kaur, Savneet, Adjanor, Gilles, Vanacker, Thomas, Jourdan, Thomas

المساهمون: Service de recherches de métallurgie physique (SRMP), Département des Matériaux pour le Nucléaire (DMN), CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, EDF (EDF)

المصدر: ISSN: 2475-9953 ; Physical Review Materials ; https://cea.hal.science/cea-02443620Test ; Physical Review Materials, 2019, 3 (10), pp.103802. ⟨10.1103/PhysRevMaterials.3.103802⟩.

مصطلحات موضوعية: [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]

الوصف: International audience ; The microstructural evolution of metals and alloys is governed by the diffusion of defects over complex energy landscapes. Whenever metastability occurs in atomistic simulations, well-separated time scales emerge making it necessary to implement event-based kinetic models at larger scales. The crucial task then involves characterizing the important events contributing to mass transport. We herein describe fast first-passage algorithms based on the theory of absorbing Markov chains assuming that defects undergo reversible diffusion. We show that the absorbing transition rate matrix can be transformed into a symmetric definite-positive matrix enabling us to implement direct and iterative sparse solvers. The efficiency of the approach is demonstrated with direct computations of elastodiffusion properties around a cavity in Aluminum and Monte Carlo computations of cluster diffusivity in low alloyed Manganese steels.

العلاقة: cea-02443620; https://cea.hal.science/cea-02443620Test; https://cea.hal.science/cea-02443620/documentTest; https://cea.hal.science/cea-02443620/file/article.pdfTest

الإتاحة: https://doi.org/10.1103/PhysRevMaterials.3.103802Test
https://cea.hal.science/cea-02443620Test
https://cea.hal.science/cea-02443620/documentTest
https://cea.hal.science/cea-02443620/file/article.pdfTest

المؤلفون: Athenes, Manuel, Kaur, Savneet, Adjanor, Gilles, Vanacker, Thomas, Jourdan, Thomas

المساهمون: Service de recherches de métallurgie physique (SRMP), Département des Matériaux pour le Nucléaire (DMN), CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, EDF (EDF)

المصدر: ISSN: 2475-9953 ; Physical Review Materials ; https://cea.hal.science/cea-02443620Test ; Physical Review Materials, 2019, 3 (10), pp.103802. ⟨10.1103/PhysRevMaterials.3.103802⟩.

مصطلحات موضوعية: [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]

الوصف: International audience ; The microstructural evolution of metals and alloys is governed by the diffusion of defects over complex energy landscapes. Whenever metastability occurs in atomistic simulations, well-separated time scales emerge making it necessary to implement event-based kinetic models at larger scales. The crucial task then involves characterizing the important events contributing to mass transport. We herein describe fast first-passage algorithms based on the theory of absorbing Markov chains assuming that defects undergo reversible diffusion. We show that the absorbing transition rate matrix can be transformed into a symmetric definite-positive matrix enabling us to implement direct and iterative sparse solvers. The efficiency of the approach is demonstrated with direct computations of elastodiffusion properties around a cavity in Aluminum and Monte Carlo computations of cluster diffusivity in low alloyed Manganese steels.

العلاقة: cea-02443620; https://cea.hal.science/cea-02443620Test; https://cea.hal.science/cea-02443620/documentTest; https://cea.hal.science/cea-02443620/file/article.pdfTest

الإتاحة: https://doi.org/10.1103/PhysRevMaterials.3.103802Test
https://cea.hal.science/cea-02443620Test
https://cea.hal.science/cea-02443620/documentTest
https://cea.hal.science/cea-02443620/file/article.pdfTest

المؤلفون: ATHENES, Manuel, KAUR, Savneet, Adjanor, Gilles, VANACKER, Thomas, Jourdan, Thomas

المساهمون: Service de recherches de métallurgie physique (SRMP), Département des Matériaux pour le Nucléaire (DMN), CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay-CEA-Direction des Energies (ex-Direction de l'Energie Nucléaire) (CEA-DES (ex-DEN)), Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université Paris-Saclay, EDF (EDF)

المصدر: ISSN: 2475-9953 ; Physical Review Materials ; https://hal-cea.archives-ouvertes.fr/cea-02443620Test ; Physical Review Materials, American Physical Society, 2019, 3 (10), pp.103802. ⟨10.1103/PhysRevMaterials.3.103802⟩.

مصطلحات موضوعية: [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci]

الوصف: International audience ; The microstructural evolution of metals and alloys is governed by the diffusion of defects over complex energy landscapes. Whenever metastability occurs in atomistic simulations, well-separated time scales emerge making it necessary to implement event-based kinetic models at larger scales. The crucial task then involves characterizing the important events contributing to mass transport. We herein describe fast first-passage algorithms based on the theory of absorbing Markov chains assuming that defects undergo reversible diffusion. We show that the absorbing transition rate matrix can be transformed into a symmetric definite-positive matrix enabling us to implement direct and iterative sparse solvers. The efficiency of the approach is demonstrated with direct computations of elastodiffusion properties around a cavity in Aluminum and Monte Carlo computations of cluster diffusivity in low alloyed Manganese steels.

العلاقة: cea-02443620; https://hal-cea.archives-ouvertes.fr/cea-02443620Test; https://hal-cea.archives-ouvertes.fr/cea-02443620/documentTest; https://hal-cea.archives-ouvertes.fr/cea-02443620/file/article.pdfTest

الإتاحة: https://doi.org/10.1103/PhysRevMaterials.3.103802Test
https://hal-cea.archives-ouvertes.fr/cea-02443620Test
https://hal-cea.archives-ouvertes.fr/cea-02443620/documentTest
https://hal-cea.archives-ouvertes.fr/cea-02443620/file/article.pdfTest