Wei Li, Shuang Lyu, Yuanhang Xia, Yue Chen, Alfonso H.W. Ngan
{"title":"复杂浓缩合金中位错阻力波动的一般统计力学理论","authors":"Wei Li, Shuang Lyu, Yuanhang Xia, Yue Chen, Alfonso H.W. Ngan","doi":"10.1016/j.ijplas.2025.104495","DOIUrl":null,"url":null,"abstract":"Dislocations have wavy shapes in solute-solution alloys from solute interactions and thermal agitations at finite temperatures. From dislocation shapes simulated by molecular dynamics at different temperatures, the Fourier harmonics of the dislocation shapes are found to follow two trends: while the energies of long wave-length harmonics obey power-law distribution characteristic of random-walk, self-affine shapes, the energies of short-wavelength harmonics follow an exponential law corresponding to maximum entropy with mean energy <span><span><math><mrow is=\"true\"><mn is=\"true\">1</mn><mo is=\"true\" linebreak=\"goodbreak\">/</mo><mi is=\"true\">β</mi><mo is=\"true\" linebreak=\"goodbreak\">=</mo><mn is=\"true\">1</mn><mo is=\"true\" linebreak=\"goodbreak\">/</mo><msub is=\"true\"><mi is=\"true\">β</mi><mi is=\"true\">T</mi></msub><mo is=\"true\" linebreak=\"goodbreak\">+</mo><mn is=\"true\">1</mn><mo is=\"true\" linebreak=\"goodbreak\">/</mo><msub is=\"true\"><mi is=\"true\">β</mi><mi is=\"true\">M</mi></msub></mrow></math></span><script type=\"math/mml\"><math><mrow is=\"true\"><mn is=\"true\">1</mn><mo linebreak=\"goodbreak\" is=\"true\">/</mo><mi is=\"true\">β</mi><mo linebreak=\"goodbreak\" is=\"true\">=</mo><mn is=\"true\">1</mn><mo linebreak=\"goodbreak\" is=\"true\">/</mo><msub is=\"true\"><mi is=\"true\">β</mi><mi is=\"true\">T</mi></msub><mo linebreak=\"goodbreak\" is=\"true\">+</mo><mn is=\"true\">1</mn><mo linebreak=\"goodbreak\" is=\"true\">/</mo><msub is=\"true\"><mi is=\"true\">β</mi><mi is=\"true\">M</mi></msub></mrow></math></script></span> comprising a thermal component <span><span><math><mrow is=\"true\"><mn is=\"true\">1</mn><mo is=\"true\" linebreak=\"goodbreak\">/</mo><msub is=\"true\"><mi is=\"true\">β</mi><mi is=\"true\">T</mi></msub></mrow></math></span><script type=\"math/mml\"><math><mrow is=\"true\"><mn is=\"true\">1</mn><mo linebreak=\"goodbreak\" is=\"true\">/</mo><msub is=\"true\"><mi is=\"true\">β</mi><mi is=\"true\">T</mi></msub></mrow></math></script></span> and a mechanical component <span><span><math><mrow is=\"true\"><mn is=\"true\">1</mn><mo is=\"true\" linebreak=\"goodbreak\">/</mo><msub is=\"true\"><mi is=\"true\">β</mi><mi is=\"true\">M</mi></msub></mrow></math></span><script type=\"math/mml\"><math><mrow is=\"true\"><mn is=\"true\">1</mn><mo linebreak=\"goodbreak\" is=\"true\">/</mo><msub is=\"true\"><mi is=\"true\">β</mi><mi is=\"true\">M</mi></msub></mrow></math></script></span>. The mechanical beta <span><span><math><msub is=\"true\"><mi is=\"true\">β</mi><mi is=\"true\">M</mi></msub></math></span><script type=\"math/mml\"><math><msub is=\"true\"><mi is=\"true\">β</mi><mi is=\"true\">M</mi></msub></math></script></span> is a key indicator for dislocation-solute interactions: Fe<sub>70</sub>Ni<sub>11</sub>Cr<sub>19</sub> with weak interactions has low and weakly temperature-dependent <span><span><math><mrow is=\"true\"><mn is=\"true\">1</mn><mo is=\"true\" linebreak=\"goodbreak\">/</mo><msub is=\"true\"><mi is=\"true\">β</mi><mi is=\"true\">M</mi></msub></mrow></math></span><script type=\"math/mml\"><math><mrow is=\"true\"><mn is=\"true\">1</mn><mo linebreak=\"goodbreak\" is=\"true\">/</mo><msub is=\"true\"><mi is=\"true\">β</mi><mi is=\"true\">M</mi></msub></mrow></math></script></span>; NiCoV with high interactions has high and almost constant <span><span><math><mrow is=\"true\"><mn is=\"true\">1</mn><mo is=\"true\" linebreak=\"goodbreak\">/</mo><msub is=\"true\"><mi is=\"true\">β</mi><mi is=\"true\">M</mi></msub></mrow></math></span><script type=\"math/mml\"><math><mrow is=\"true\"><mn is=\"true\">1</mn><mo linebreak=\"goodbreak\" is=\"true\">/</mo><msub is=\"true\"><mi is=\"true\">β</mi><mi is=\"true\">M</mi></msub></mrow></math></script></span> over a wide temperature range; NiCoCr and NiCoCrFeMn with intermediate interactions have intermediate <span><span><math><mrow is=\"true\"><mn is=\"true\">1</mn><mo is=\"true\" linebreak=\"goodbreak\">/</mo><msub is=\"true\"><mi is=\"true\">β</mi><mi is=\"true\">M</mi></msub></mrow></math></span><script type=\"math/mml\"><math><mrow is=\"true\"><mn is=\"true\">1</mn><mo linebreak=\"goodbreak\" is=\"true\">/</mo><msub is=\"true\"><mi is=\"true\">β</mi><mi is=\"true\">M</mi></msub></mrow></math></script></span> decreasing sharply on increasing temperature as the solutes fail to pin dislocations in wavy and energetic configurations at high temperatures. This work establishes a new theoretical framework to classify solute-solution alloys according to their dislocation-solute interactions and to predict the CRSS required for depinning of edge dislocations at finite temperatures.","PeriodicalId":340,"journal":{"name":"International Journal of Plasticity","volume":"7 1","pages":""},"PeriodicalIF":12.8000,"publicationDate":"2025-10-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"General statistical mechanics theory for fluctuating dislocation resistances in complex concentrated alloys\",\"authors\":\"Wei Li, Shuang Lyu, Yuanhang Xia, Yue Chen, Alfonso H.W. Ngan\",\"doi\":\"10.1016/j.ijplas.2025.104495\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Dislocations have wavy shapes in solute-solution alloys from solute interactions and thermal agitations at finite temperatures. From dislocation shapes simulated by molecular dynamics at different temperatures, the Fourier harmonics of the dislocation shapes are found to follow two trends: while the energies of long wave-length harmonics obey power-law distribution characteristic of random-walk, self-affine shapes, the energies of short-wavelength harmonics follow an exponential law corresponding to maximum entropy with mean energy <span><span><math><mrow is=\\\"true\\\"><mn is=\\\"true\\\">1</mn><mo is=\\\"true\\\" linebreak=\\\"goodbreak\\\">/</mo><mi is=\\\"true\\\">β</mi><mo is=\\\"true\\\" linebreak=\\\"goodbreak\\\">=</mo><mn is=\\\"true\\\">1</mn><mo is=\\\"true\\\" linebreak=\\\"goodbreak\\\">/</mo><msub is=\\\"true\\\"><mi is=\\\"true\\\">β</mi><mi is=\\\"true\\\">T</mi></msub><mo is=\\\"true\\\" linebreak=\\\"goodbreak\\\">+</mo><mn is=\\\"true\\\">1</mn><mo is=\\\"true\\\" linebreak=\\\"goodbreak\\\">/</mo><msub is=\\\"true\\\"><mi is=\\\"true\\\">β</mi><mi is=\\\"true\\\">M</mi></msub></mrow></math></span><script type=\\\"math/mml\\\"><math><mrow is=\\\"true\\\"><mn is=\\\"true\\\">1</mn><mo linebreak=\\\"goodbreak\\\" is=\\\"true\\\">/</mo><mi is=\\\"true\\\">β</mi><mo linebreak=\\\"goodbreak\\\" is=\\\"true\\\">=</mo><mn is=\\\"true\\\">1</mn><mo linebreak=\\\"goodbreak\\\" is=\\\"true\\\">/</mo><msub is=\\\"true\\\"><mi is=\\\"true\\\">β</mi><mi is=\\\"true\\\">T</mi></msub><mo linebreak=\\\"goodbreak\\\" is=\\\"true\\\">+</mo><mn is=\\\"true\\\">1</mn><mo linebreak=\\\"goodbreak\\\" is=\\\"true\\\">/</mo><msub is=\\\"true\\\"><mi is=\\\"true\\\">β</mi><mi is=\\\"true\\\">M</mi></msub></mrow></math></script></span> comprising a thermal component <span><span><math><mrow is=\\\"true\\\"><mn is=\\\"true\\\">1</mn><mo is=\\\"true\\\" linebreak=\\\"goodbreak\\\">/</mo><msub is=\\\"true\\\"><mi is=\\\"true\\\">β</mi><mi is=\\\"true\\\">T</mi></msub></mrow></math></span><script type=\\\"math/mml\\\"><math><mrow is=\\\"true\\\"><mn is=\\\"true\\\">1</mn><mo linebreak=\\\"goodbreak\\\" is=\\\"true\\\">/</mo><msub is=\\\"true\\\"><mi is=\\\"true\\\">β</mi><mi is=\\\"true\\\">T</mi></msub></mrow></math></script></span> and a mechanical component <span><span><math><mrow is=\\\"true\\\"><mn is=\\\"true\\\">1</mn><mo is=\\\"true\\\" linebreak=\\\"goodbreak\\\">/</mo><msub is=\\\"true\\\"><mi is=\\\"true\\\">β</mi><mi is=\\\"true\\\">M</mi></msub></mrow></math></span><script type=\\\"math/mml\\\"><math><mrow is=\\\"true\\\"><mn is=\\\"true\\\">1</mn><mo linebreak=\\\"goodbreak\\\" is=\\\"true\\\">/</mo><msub is=\\\"true\\\"><mi is=\\\"true\\\">β</mi><mi is=\\\"true\\\">M</mi></msub></mrow></math></script></span>. The mechanical beta <span><span><math><msub is=\\\"true\\\"><mi is=\\\"true\\\">β</mi><mi is=\\\"true\\\">M</mi></msub></math></span><script type=\\\"math/mml\\\"><math><msub is=\\\"true\\\"><mi is=\\\"true\\\">β</mi><mi is=\\\"true\\\">M</mi></msub></math></script></span> is a key indicator for dislocation-solute interactions: Fe<sub>70</sub>Ni<sub>11</sub>Cr<sub>19</sub> with weak interactions has low and weakly temperature-dependent <span><span><math><mrow is=\\\"true\\\"><mn is=\\\"true\\\">1</mn><mo is=\\\"true\\\" linebreak=\\\"goodbreak\\\">/</mo><msub is=\\\"true\\\"><mi is=\\\"true\\\">β</mi><mi is=\\\"true\\\">M</mi></msub></mrow></math></span><script type=\\\"math/mml\\\"><math><mrow is=\\\"true\\\"><mn is=\\\"true\\\">1</mn><mo linebreak=\\\"goodbreak\\\" is=\\\"true\\\">/</mo><msub is=\\\"true\\\"><mi is=\\\"true\\\">β</mi><mi is=\\\"true\\\">M</mi></msub></mrow></math></script></span>; NiCoV with high interactions has high and almost constant <span><span><math><mrow is=\\\"true\\\"><mn is=\\\"true\\\">1</mn><mo is=\\\"true\\\" linebreak=\\\"goodbreak\\\">/</mo><msub is=\\\"true\\\"><mi is=\\\"true\\\">β</mi><mi is=\\\"true\\\">M</mi></msub></mrow></math></span><script type=\\\"math/mml\\\"><math><mrow is=\\\"true\\\"><mn is=\\\"true\\\">1</mn><mo linebreak=\\\"goodbreak\\\" is=\\\"true\\\">/</mo><msub is=\\\"true\\\"><mi is=\\\"true\\\">β</mi><mi is=\\\"true\\\">M</mi></msub></mrow></math></script></span> over a wide temperature range; NiCoCr and NiCoCrFeMn with intermediate interactions have intermediate <span><span><math><mrow is=\\\"true\\\"><mn is=\\\"true\\\">1</mn><mo is=\\\"true\\\" linebreak=\\\"goodbreak\\\">/</mo><msub is=\\\"true\\\"><mi is=\\\"true\\\">β</mi><mi is=\\\"true\\\">M</mi></msub></mrow></math></span><script type=\\\"math/mml\\\"><math><mrow is=\\\"true\\\"><mn is=\\\"true\\\">1</mn><mo linebreak=\\\"goodbreak\\\" is=\\\"true\\\">/</mo><msub is=\\\"true\\\"><mi is=\\\"true\\\">β</mi><mi is=\\\"true\\\">M</mi></msub></mrow></math></script></span> decreasing sharply on increasing temperature as the solutes fail to pin dislocations in wavy and energetic configurations at high temperatures. This work establishes a new theoretical framework to classify solute-solution alloys according to their dislocation-solute interactions and to predict the CRSS required for depinning of edge dislocations at finite temperatures.\",\"PeriodicalId\":340,\"journal\":{\"name\":\"International Journal of Plasticity\",\"volume\":\"7 1\",\"pages\":\"\"},\"PeriodicalIF\":12.8000,\"publicationDate\":\"2025-10-02\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"International Journal of Plasticity\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://doi.org/10.1016/j.ijplas.2025.104495\",\"RegionNum\":1,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"ENGINEERING, MECHANICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Journal of Plasticity","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1016/j.ijplas.2025.104495","RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"ENGINEERING, MECHANICAL","Score":null,"Total":0}
引用次数: 0
摘要
由于溶质相互作用和有限温度下的热搅拌,溶质-溶质合金中的位错具有波浪形。通过分子动力学模拟不同温度下的位错形状,发现位错形状的傅里叶谐波有两种趋势:长波谐波的能量服从随机游走、自仿射的幂律分布特征,短波谐波的能量服从最大熵对应的指数规律,平均能量为1/β=1/β t +1/β m1 /β=1/β t +1/β m,由热分量1/β t1 /β t和机械分量1/β m1 /β m组成。力学β βM - βM是位错-溶质相互作用的关键指标:弱相互作用的Fe70Ni11Cr19具有低且弱的温度依赖性1/βM1/βM;具有高相互作用的NiCoV在宽温度范围内具有高且几乎恒定的1/βM1/βM;具有中间相互作用的NiCoCr和NiCoCrFeMn的中间1/βM1/βM随着温度的升高而急剧下降,这是由于溶质在高温下无法以波浪形和能态排列位错。这项工作建立了一个新的理论框架,根据它们的位错-溶质相互作用对溶质-溶质合金进行分类,并预测在有限温度下边缘位错脱落所需的CRSS。
General statistical mechanics theory for fluctuating dislocation resistances in complex concentrated alloys
Dislocations have wavy shapes in solute-solution alloys from solute interactions and thermal agitations at finite temperatures. From dislocation shapes simulated by molecular dynamics at different temperatures, the Fourier harmonics of the dislocation shapes are found to follow two trends: while the energies of long wave-length harmonics obey power-law distribution characteristic of random-walk, self-affine shapes, the energies of short-wavelength harmonics follow an exponential law corresponding to maximum entropy with mean energy comprising a thermal component and a mechanical component . The mechanical beta is a key indicator for dislocation-solute interactions: Fe70Ni11Cr19 with weak interactions has low and weakly temperature-dependent ; NiCoV with high interactions has high and almost constant over a wide temperature range; NiCoCr and NiCoCrFeMn with intermediate interactions have intermediate decreasing sharply on increasing temperature as the solutes fail to pin dislocations in wavy and energetic configurations at high temperatures. This work establishes a new theoretical framework to classify solute-solution alloys according to their dislocation-solute interactions and to predict the CRSS required for depinning of edge dislocations at finite temperatures.
期刊介绍:
International Journal of Plasticity aims to present original research encompassing all facets of plastic deformation, damage, and fracture behavior in both isotropic and anisotropic solids. This includes exploring the thermodynamics of plasticity and fracture, continuum theory, and macroscopic as well as microscopic phenomena.
Topics of interest span the plastic behavior of single crystals and polycrystalline metals, ceramics, rocks, soils, composites, nanocrystalline and microelectronics materials, shape memory alloys, ferroelectric ceramics, thin films, and polymers. Additionally, the journal covers plasticity aspects of failure and fracture mechanics. Contributions involving significant experimental, numerical, or theoretical advancements that enhance the understanding of the plastic behavior of solids are particularly valued. Papers addressing the modeling of finite nonlinear elastic deformation, bearing similarities to the modeling of plastic deformation, are also welcomed.