Influence of Mo Segregation at Grain Boundaries on the High Temperature Creep Behavior of Ni-Mo Alloys: An Atomistic Study

Based on molecular dynamics simulations, the creep behaviors of nanocrystalline Ni before and after the segregation of Mo atoms at grain boundaries are comparatively investigated with the influences of external stress, grain size, temperature, and the concentration of Mo atoms taken into considerati...

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Autores principales:	Qian Li, Jiayong Zhang, Huayuan Tang, Hongwu Zhang, Hongfei Ye, Yonggang Zheng
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	creep behavior segregation strain rate molecular dynamics simulation Ni-Mo system Technology T Electrical engineering. Electronics. Nuclear engineering TK1-9971 Engineering (General). Civil engineering (General) TA1-2040 Microscopy QH201-278.5 Descriptive and experimental mechanics QC120-168.85
Acceso en línea:	https://doaj.org/article/5c6f9c38cb3e4d5782a37f4e31739dc9
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spelling	oai:doaj.org-article:5c6f9c38cb3e4d5782a37f4e31739dc92021-11-25T18:15:15ZInfluence of Mo Segregation at Grain Boundaries on the High Temperature Creep Behavior of Ni-Mo Alloys: An Atomistic Study10.3390/ma142269661996-1944https://doaj.org/article/5c6f9c38cb3e4d5782a37f4e31739dc92021-11-01T00:00:00Zhttps://www.mdpi.com/1996-1944/14/22/6966https://doaj.org/toc/1996-1944Based on molecular dynamics simulations, the creep behaviors of nanocrystalline Ni before and after the segregation of Mo atoms at grain boundaries are comparatively investigated with the influences of external stress, grain size, temperature, and the concentration of Mo atoms taken into consideration. The results show that the creep strain rate of nanocrystalline Ni decreases significantly after the segregation of Mo atoms at grain boundaries due to the increase of the activation energy. The creep mechanisms corresponding to low, medium, and high stress states are respectively diffusion, grain boundary slip and dislocation activities based on the analysis of stress exponent and grain size exponent for both pure Ni and segregated Ni-Mo samples. Importantly, the influence of external stress and grain size on the creep strain rate of segregated Ni-Mo samples agrees well with the classical Bird-Dorn-Mukherjee model. The results also show that segregation has little effect on the creep process dominated by lattice diffusion. However, it can effectively reduce the strain rate of the creep deformation dominated by grain boundary behaviors and dislocation activities, where the creep rate decreases when increasing the concentration of Mo atoms at grain boundaries within a certain range.Qian LiJiayong ZhangHuayuan TangHongwu ZhangHongfei YeYonggang ZhengMDPI AGarticlecreep behaviorsegregationstrain ratemolecular dynamics simulationNi-Mo systemTechnologyTElectrical engineering. Electronics. Nuclear engineeringTK1-9971Engineering (General). Civil engineering (General)TA1-2040MicroscopyQH201-278.5Descriptive and experimental mechanicsQC120-168.85ENMaterials, Vol 14, Iss 6966, p 6966 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	creep behavior segregation strain rate molecular dynamics simulation Ni-Mo system Technology T Electrical engineering. Electronics. Nuclear engineering TK1-9971 Engineering (General). Civil engineering (General) TA1-2040 Microscopy QH201-278.5 Descriptive and experimental mechanics QC120-168.85
spellingShingle	creep behavior segregation strain rate molecular dynamics simulation Ni-Mo system Technology T Electrical engineering. Electronics. Nuclear engineering TK1-9971 Engineering (General). Civil engineering (General) TA1-2040 Microscopy QH201-278.5 Descriptive and experimental mechanics QC120-168.85 Qian Li Jiayong Zhang Huayuan Tang Hongwu Zhang Hongfei Ye Yonggang Zheng Influence of Mo Segregation at Grain Boundaries on the High Temperature Creep Behavior of Ni-Mo Alloys: An Atomistic Study
description	Based on molecular dynamics simulations, the creep behaviors of nanocrystalline Ni before and after the segregation of Mo atoms at grain boundaries are comparatively investigated with the influences of external stress, grain size, temperature, and the concentration of Mo atoms taken into consideration. The results show that the creep strain rate of nanocrystalline Ni decreases significantly after the segregation of Mo atoms at grain boundaries due to the increase of the activation energy. The creep mechanisms corresponding to low, medium, and high stress states are respectively diffusion, grain boundary slip and dislocation activities based on the analysis of stress exponent and grain size exponent for both pure Ni and segregated Ni-Mo samples. Importantly, the influence of external stress and grain size on the creep strain rate of segregated Ni-Mo samples agrees well with the classical Bird-Dorn-Mukherjee model. The results also show that segregation has little effect on the creep process dominated by lattice diffusion. However, it can effectively reduce the strain rate of the creep deformation dominated by grain boundary behaviors and dislocation activities, where the creep rate decreases when increasing the concentration of Mo atoms at grain boundaries within a certain range.
format	article
author	Qian Li Jiayong Zhang Huayuan Tang Hongwu Zhang Hongfei Ye Yonggang Zheng
author_facet	Qian Li Jiayong Zhang Huayuan Tang Hongwu Zhang Hongfei Ye Yonggang Zheng
author_sort	Qian Li
title	Influence of Mo Segregation at Grain Boundaries on the High Temperature Creep Behavior of Ni-Mo Alloys: An Atomistic Study
title_short	Influence of Mo Segregation at Grain Boundaries on the High Temperature Creep Behavior of Ni-Mo Alloys: An Atomistic Study
title_full	Influence of Mo Segregation at Grain Boundaries on the High Temperature Creep Behavior of Ni-Mo Alloys: An Atomistic Study
title_fullStr	Influence of Mo Segregation at Grain Boundaries on the High Temperature Creep Behavior of Ni-Mo Alloys: An Atomistic Study
title_full_unstemmed	Influence of Mo Segregation at Grain Boundaries on the High Temperature Creep Behavior of Ni-Mo Alloys: An Atomistic Study
title_sort	influence of mo segregation at grain boundaries on the high temperature creep behavior of ni-mo alloys: an atomistic study
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/5c6f9c38cb3e4d5782a37f4e31739dc9
work_keys_str_mv	AT qianli influenceofmosegregationatgrainboundariesonthehightemperaturecreepbehaviorofnimoalloysanatomisticstudy AT jiayongzhang influenceofmosegregationatgrainboundariesonthehightemperaturecreepbehaviorofnimoalloysanatomisticstudy AT huayuantang influenceofmosegregationatgrainboundariesonthehightemperaturecreepbehaviorofnimoalloysanatomisticstudy AT hongwuzhang influenceofmosegregationatgrainboundariesonthehightemperaturecreepbehaviorofnimoalloysanatomisticstudy AT hongfeiye influenceofmosegregationatgrainboundariesonthehightemperaturecreepbehaviorofnimoalloysanatomisticstudy AT yonggangzheng influenceofmosegregationatgrainboundariesonthehightemperaturecreepbehaviorofnimoalloysanatomisticstudy
_version_	1718411439067103232

Influence of Mo Segregation at Grain Boundaries on the High Temperature Creep Behavior of Ni-Mo Alloys: An Atomistic Study

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