Ｍｏｌｅｃｕｌａｒ ｄｙｎａｍｉｃｓ ｓｉｍｕｌａｔｉｏｎ ｏｆ ｄｅｆｏｒｍａｔｉｏｎ ａｎｄ ｆａｉｌｕｒｅ ｍｅｃｈａｎｉｓｍ ｏｆ ｋａｏｌｉｎｉｔｅ ａｔ ｄｉｆｆｅｒｅｎｔ ｔｅｍｐｅｒａｔｕｒｅｓ
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Graphical Abstract
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Abstract
ＵｎｉａｘｉａｌｔｅｎｓｉｌｅｓｉｍｕｌａｔｉｏｎｓｗｅｒｅｃａｒｒｉｅｄｏｕｔｉｎＯＡ，ＯＢａｎｄＯＣｄｉｒｅｃｔｉｏｎｓｏｆｋａｏｌｉｎｉｔｅａｔｄｉｆｆｅｒｅｎｔ ｔｅｍｐｅｒａｔｕｒｅｓｂｙｕｓｉｎｇｍｏｌｅｃｕｌａｒｄｙｎａｍｉｃｓｓｉｍｕｌａｔｉｏｎｓ*Ｔｈｅｄｅｆｏｒｍａｔｉｏｎａｎｄｆａｉｌｕｒｅｐｒｏｃｅｓｓｅｓｏｆｋａｏｌｉｎｉｔｅ ｗｅｒｅｓｔｕｄｉｅｄａｔｔｈｅａｔｏｍｉｓｔｉｃｓｃａｌｅ*Ｔｈｅｃｈａｎｇｅｏｆｍｉｃｒｏｓｔｒｕｃｔｕｒｅ，ｄｅｆｏｒｍａｔｉｏｎｍｅｃｈａｎｉｓｍａｎｄｔｅｍｐｅｒａｔｕｒｅ ｅｆｆｅｃｔｏｆｔｅｎｓｉｌｅｍｅｃｈａｎｉｃａｌｐｒｏｐｅｒｔｉｅｓｏｆｋａｏｌｉｎｉｔｅａｔｄｉｆｆｅｒｅｎｔｔｅｍｐｅｒａｔｕｒｅｓｗｅｒｅａｌｓｏａｎａｌｙｚｅｄ*Ｔｈｉｓｗｏｒｋ ｗｏｕｌｄｂｅｈｅｌｐｆｕｌｔｏｕｎｄｅｒｓｔａｎｄｔｈｅｍｅｃｈａｎｉｓｍｓｏｆｌａｒｇｅｄｅｆｏｒｍａｔｉｏｎａｎｄｆａｉｌｕｒｅｏｆｓｏｆｔｒｏｃｋ*Ｔｈｅｒｅｓｕｌｔｓｉｎｄｉ⁃ ｃａｔｅｄｔｈａｔｔｈｅｉｎｃｒｅａｓｉｎｇｏｆｔｅｍｐｅｒａｔｕｒｅｒｅｓｕｌｔｓｉｎｔｈｅｔｈｅｒｍａｌｅｘｐａｎｓｉｏｎｏｆｋａｏｌｉｎｉｔｅａｆｔｅｒｒｅｌａｘａｔｉｏｎ*Ｏｎｃｅ ｔｈｅｃｒａｃｋｎｕｃｌｅａｔｉｏｎａｐｐｅａｒｓ，ｉｔｐｒｏｐａｇａｔｅｓｖｅｒｙｑｕｉｃｋｌｙａｎｄｌｅａｄｓｔｏａｓｈａｒｐｄｅｃｒｅａｓｅｉｎｓｔｒｅｓｓａｌｏｎｇＯＡａｎｄ ＯＢｌｏａｄｉｎｇｄｉｒｅｃｔｉｏｎｓ*ＴｈｅｌａｙｅｒｓｅｐａｒａｔｉｏｎｏｃｃｕｒｓｄｕｒｉｎｇｌｏａｄｉｎｇａｌｏｎｇＯＣｄｉｒｅｃｔｉｏｎ，ｗｈｉｌｅｔｈｅｓｔｒｕｃｔｕｒｅ ｃｏｕｌｄｆａｉｌｓｉｎｃｅｔｈｅｈｙｄｒｏｇｅｎｂｏｎｄｓａｒｅｂｒｏｋｅｎ*Ｔｈｅｍｅｃｈａｎｉｃａｌｐｒｏｐｅｒｔｉｅｓｏｆｋａｏｌｉｎｉｔｅｈａｖｅａｓｔｒｏｎｇｄｅｐｅｎｄ⁃ ｅｎｃｅｏｎｔｅｍｐｅｒａｔｕｒｅ*Ｔｈｅｒｅｉｓａｎｅｇａｔｉｖｅｃｏｒｒｅｌａｔｉｏｎｂｅｔｗｅｅｎｔｅｎｓｉｌｅｓｔｒｅｎｇｔｈ，Ｙｏｕｎｇ*ｓｍｏｄｕｌｕｓａｎｄｔｅｍｐｅｒａ⁃
ｔｕｒｅ*Ｗｉｔｈｔｈｅｉｎｃｒｅａｓｅｏｆｔｅｍｐｅｒａｔｕｒｅ，ｔｈｅｔｅｎｓｉｌｅｕｌｔｉｍａｔｅｓｔｒａｉｎａｎｄｒｅｓｉｄｕａｌｓｔｒｅｎｇｔｈｔｅｎｄｔｏｄｅｃｒｅａｓｅ，ａｎｄ ｔｈｅｓｔｒｅｎｇｔｈａｔｔｅｎｕａｔｉｏｎｃｏｅｆｆｉｃｉｅｎｔｔｅｎｄｔｏｉｎｃｒｅａｓｅ*Ｉｎａｄｄｉｔｉｏｎ，ＯＣｄｉｒｅｃｔｉｏｎｉｓｔｈｅｍｏｓｔａｆｆｅｃｔｅｄｂｙｔｈｅｔｅｍ⁃ ｐｅｒａｔｕｒｅ，ｆｏｌｌｏｗｅｄｂｙＯＢｄｉｒｅｃｔｉｏｎ，ａｎｄＯＡｄｉｒｅｃｔｉｏｎｉｓｔｈｅｌｅａｓｔａｆｆｅｃｔｅｄ*
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