{"title":"温度依赖性电子-声子耦合改变了 W 中子辐照分子动力学模拟中的损伤级联","authors":"Younggak Shin, Keonwook Kang, Byeongchan Lee","doi":"10.1088/1741-4326/ad64e7","DOIUrl":null,"url":null,"abstract":"\n We present a first-principles-based electron-temperature model to be used in atomistic calculations. The electron-phonon coupling coefficient in the model is derived from the density of states as a function of electron temperature, and the thermal conductivity of tungsten from our model shows significant improvement over the baseline atomistic calculations in which only ion-thermal contribution to the thermal conductivity is available. The correction in thermal conductivity also changes damage cascades as cascades cool down more rapidly with our model. The mobility of defects is consequently reduced, leaving more residual damages than the predictions without an electron-temperature model.","PeriodicalId":19379,"journal":{"name":"Nuclear Fusion","volume":null,"pages":null},"PeriodicalIF":3.5000,"publicationDate":"2024-07-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Temperature-dependent electron-phonon coupling changes the damage cascades in neutron-irradiation molecular dynamics simulation in W\",\"authors\":\"Younggak Shin, Keonwook Kang, Byeongchan Lee\",\"doi\":\"10.1088/1741-4326/ad64e7\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\\n We present a first-principles-based electron-temperature model to be used in atomistic calculations. The electron-phonon coupling coefficient in the model is derived from the density of states as a function of electron temperature, and the thermal conductivity of tungsten from our model shows significant improvement over the baseline atomistic calculations in which only ion-thermal contribution to the thermal conductivity is available. The correction in thermal conductivity also changes damage cascades as cascades cool down more rapidly with our model. The mobility of defects is consequently reduced, leaving more residual damages than the predictions without an electron-temperature model.\",\"PeriodicalId\":19379,\"journal\":{\"name\":\"Nuclear Fusion\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":3.5000,\"publicationDate\":\"2024-07-18\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Nuclear Fusion\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://doi.org/10.1088/1741-4326/ad64e7\",\"RegionNum\":1,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"PHYSICS, FLUIDS & PLASMAS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Nuclear Fusion","FirstCategoryId":"101","ListUrlMain":"https://doi.org/10.1088/1741-4326/ad64e7","RegionNum":1,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"PHYSICS, FLUIDS & PLASMAS","Score":null,"Total":0}
Temperature-dependent electron-phonon coupling changes the damage cascades in neutron-irradiation molecular dynamics simulation in W
We present a first-principles-based electron-temperature model to be used in atomistic calculations. The electron-phonon coupling coefficient in the model is derived from the density of states as a function of electron temperature, and the thermal conductivity of tungsten from our model shows significant improvement over the baseline atomistic calculations in which only ion-thermal contribution to the thermal conductivity is available. The correction in thermal conductivity also changes damage cascades as cascades cool down more rapidly with our model. The mobility of defects is consequently reduced, leaving more residual damages than the predictions without an electron-temperature model.
期刊介绍:
Nuclear Fusion publishes articles making significant advances to the field of controlled thermonuclear fusion. The journal scope includes:
-the production, heating and confinement of high temperature plasmas;
-the physical properties of such plasmas;
-the experimental or theoretical methods of exploring or explaining them;
-fusion reactor physics;
-reactor concepts; and
-fusion technologies.
The journal has a dedicated Associate Editor for inertial confinement fusion.