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jzk19940220鐵蟲 (初入文壇)
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[交流]
]MS軟件中Forcite模塊中的Mechanical功能怎么用啊 已有1人參與
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我現(xiàn)在需要使用constant-strain 能量最小化的方法研究一個復(fù)合材料體系的機(jī)械性能，通過摸索，已經(jīng)大致確定需要使用Forcite模塊中的Mechanical功能，但是文獻(xiàn)要求在體系X方向施加一個應(yīng)變，我在這個Mechanical中沒有找到如何在一個方向施加應(yīng)變，有沒有Forcite模塊的大神 或者用過constant-strain方法的 求教�。。�！ 本人新手一枚，頭疼好幾天了就為這個東西...... 如有相助，萬分感謝�。。。。ㄎ覜]金幣...希望大神能夠伸出援助之手  ）以下是我help中的敘述以及文獻(xiàn)要求的截屏，或者有大神幫我解讀一下，我讀不懂...... Constant strain approach Forcite Mechanical Properties calculations use the "Constant strain" approach. The process starts by removing symmetry from the system, followed by an optional re-optimization of the structure, where the cell parameters can be varied. Optimization at this stage is always advised as incorrect results can be obtained if the structure is far from its lowest energy configuration. For each configuration, a number of strains are applied, resulting in a strained structure. The resulting structure is then optimized, keeping the cell parameters fixed. For example: Number of steps for each strain = 4 Max. Strain amplitude = 0.003 Strain patterns 100000, 010000 This defines a range of values {-0.003, -0.001, 0.001, 0.003} which are applied to each strain pattern: strain pattern 100000 gives e={-0.003, 0,0,0,0,0}, {-0.001, 0,0,0,0,0}, {0.001, 0,0,0,0,0}, {0.003, 0,0,0,0,0} strain pattern 010000 gives e={0,-0.003,0,0,0,0}, {0, -0.001,0,0,0,0}, {0, 0.001,0,0,0,0}, {0, 0.003,0,0,0,0} Each strain pattern represents the strain matrix in Voigt notation. It is converted to the strain matrix E, such that E(0,0)=e(0), E(1,1)=e(1),E(2,2)=e(2),E(2,1)=E(1,2)=0.5*e(3), ... These are then used to generate the metric tensor G; G = H0'[2E+I]H0 Where H0 are formed from the lattice vectors; I is the identity matrix and H0' is the transpose of H0. From G the new lattice parameters can be derived, these are then used to transform the cell parameters (fractional coordinates are held fixed). Following these steps the structure is optimized and the stress is calculated. A stiffness matrix is built up by from a linear fit between the applied strain and resulting stress patterns. In the case of a trajectory this is averaged over all frames. w244h3631245_1457604138_385.png |
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jzk19940220
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2樓2016-03-12 10:58:37
jzk19940220
鐵蟲 (初入文壇)
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- 專業(yè): 功能與智能高分子
3樓2016-03-15 10:24:15
馮亞娟
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4樓2018-01-15 20:30:30
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