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ahlongzh新蟲(chóng) (初入文壇)
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[求助]
MS軟件怎么實(shí)現(xiàn)加熱,保溫,降溫過(guò)程 已有1人參與
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在文獻(xiàn)中看到對(duì)系統(tǒng)處理的方法步驟,The system was heated from 0K to 3500K over 5 ps. After that, the temperature of 3500K was maintained for next 5 ps. In that period, atoms moved from their initial positions and mixed. The system was finally cooled from 3500K to 10K and optimized. During MD steps atoms in silicon slab were kept frozen 我剛接觸MS軟件,不知道這個(gè)過(guò)程怎么實(shí)現(xiàn)?求大神幫忙解答! |
新蟲(chóng) (初入文壇)
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GULP,discover,forcite這些模塊我也嘗試過(guò),但是不知道是設(shè)置的問(wèn)題,還是模塊無(wú)法實(shí)現(xiàn),無(wú)法做出符合要求的溫度曲線(xiàn)(升溫,保持,降溫),希望樓上給出具體說(shuō)明,最好能有插圖說(shuō)明,謝謝!我的郵箱ahlongzh@gmail.com |
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