{"id":124336,"date":"2018-02-04T14:00:38","date_gmt":"2018-02-04T06:00:38","guid":{"rendered":"\/\/m.iemloyee.com\/?p=124336"},"modified":"2018-02-02T22:02:55","modified_gmt":"2018-02-02T14:02:55","slug":"phys-rev-lett-%e5%90%ab%e6%9c%89%e6%b6%b2%e7%9b%b8%e5%92%8c%e7%8e%bb%e7%92%83%e5%a4%9a%e6%80%81%e7%9a%84%e7%b1%bb%e6%b0%b4%e5%8d%95%e5%8e%9f%e5%ad%90%e6%a8%a1%e5%9e%8b%e7%9a%84%e5%8a%bf%e8%83%bd","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=124336","title":{"rendered":"Phys.Rev.Lett.: \u542b\u6709\u6db2\u76f8\u548c\u73bb\u7483\u591a\u6001\u7684\u7c7b\u6c34\u5355\u539f\u5b50\u6a21\u578b\u7684\u52bf\u80fd\u9762\u53cd\u5e38\u7279\u5f81"},"content":{"rendered":"

\u3010\u5f15\u8a00\u3011<\/strong><\/p>\n

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\u3010\u6210\u679c\u7b80\u4ecb\u3011<\/strong><\/p>\n

\u8fd1\u65e5\uff0c\u5317\u4eac\u5927\u5b66\u7684\u5f90\u8389\u6885\u6559\u6388<\/strong>\u5728Physical Review Letters<\/strong>\u4e0a\u53d1\u8868\u4e86\u6700\u65b0\u7814\u7a76\u6210\u679c\u201cAnomalous Features in the Potential Energy Landscape of a Waterlike Monatomic Model with Liquid and Glass Polymorphism<\/strong>\u201d\u3002\u8be5\u5de5\u4f5c\u901a\u8fc7\u5bf9\u7c7b\u6c34\u5355\u539f\u5b50\u6db2\u4f53\u7684\u52bf\u80fd\u9762\u5206\u5b50\u52a8\u529b\u5b66\u6a21\u62df\uff0c\u53d1\u73b0\u5176\u4e2d\u5b58\u5728\u6db2-\u6db2\u76f8\u53d8\u548c\u73bb\u7483-\u73bb\u7483\u8f6c\u53d8\u3002\u53ef\u4ee5\u5728\u52bf\u80fd\u9762\u4e0a\u627e\u5230\u4e0a\u8ff0\u4e24\u4e2a\u73b0\u8c61\u7684\u8d77\u6e90\u3002\u7279\u522b\u5730\uff0c\u5728\u538b\u529b\u8bf1\u5bfc\u7684\u6db2-\u6db2\u76f8\u53d8\u548c\u73bb\u7483-\u73bb\u7483\u8f6c\u53d8\u4e2d\uff0c(i)\u56fa\u6709\u7ed3\u6784\u7684\u80fd\u91cf\u662f\u4f53\u79ef\u7684\u51f9\u51fd\u6570\uff0c\u5e76\u4e14(ii)\u56fa\u6709\u7ed3\u6784\u7684\u538b\u529b\u5448\u73b0\u51fa\u7c7b\u8303\u5fb7\u74e6\u5c14\u65af\u73af\u3002\u4f5c\u8005\u8ba4\u4e3a\uff0c(i)\u548c(ii)\u9884\u793a\u7740\u73bb\u7483-\u73bb\u7483\u8f6c\u53d8\u548c\u6db2-\u6db2\u76f8\u53d8\u7c7b\u4f3c\uff0c\u5c5e\u4e8e\uff08\u975e\u5e73\u8861\uff09\u4e00\u7ea7\u76f8\u53d8\u3002\u6709\u8da3\u7684\u662f\uff0c\u548c\u5178\u578b\u7684ST2\u6c34\u6a21\u578b\u5bf9\u6bd4\uff0c\u4f5c\u8005\u53d1\u73b0(a)\u6ca1\u6709\u627e\u5230\u4e24\u4e2a\u5206\u79bb\u7684\u52bf\u80fd\u9762\u4e2d\u7684\u6df1\u80fd\u8c37(\u4e00\u4e2a\u662f\u5bf9\u4f4e\u5bc6\u5ea6\u73bb\u7483\u6001\u548c\u6db2\u6001\u6765\u8bf4\uff0c\u53e6\u4e00\u4e2a\u5219\u662f\u5bf9\u9ad8\u5bc6\u5ea6\u73bb\u7483\u6001\u548c\u6db2\u6001\u6765\u8bf4)\uff0c\u5e76\u4e14(b)\u7279\u5f81(i)\u548c(ii)\u53ef\u5728\u8fdc\u9ad8\u4e8e\u6db2-\u6db2\u76f8\u53d8\u7684\u6e29\u5ea6\u4e0b\u4fdd\u6301\u3002<\/p>\n

\u3010\u56fe\u6587\u5bfc\u8bfb\u3011<\/strong><\/p>\n

\u56fe1\uff1aT<\/em>=0.01\uff0c\u538b\u529b\u8bf1\u5bfcLDA-HDA\u8f6c\u53d8\u8fc7\u7a0b\uff0c\u672c\u5f81\u7ed3\u6784\u7684\u80fd\u91cfE<\/em>IS<\/sub>(v<\/em>)\uff0c\u538b\u529bP<\/em>IS<\/sub>(v<\/em>)\u548c\u5f62\u72b6\u51fd\u6570S<\/em>IS<\/sub>(v<\/em>)\u53d8\u5316\u3002<\/strong><\/p>\n

\"\"<\/p>\n

\u5728\u6052\u5b9a\u6e29\u5ea6\u4e0b\u5e73\u8861\u6001\u6db2\u4f53\u53d6\u6837\u7684(a)\u672c\u5f81\u7ed3\u6784\u538b\u529b\uff0c(b)\u5355\u4e2a\u7c92\u5b50\u7684\u672c\u5f81\u7ed3\u6784\u80fd\u91cf\uff0c\u548c(c)\u672c\u5f81\u7ed3\u6784\u7684\u80fd\u8c37\u5f62\u72b6\u51fd\u6570\uff0c\u8fd8\u5305\u542b\u5728\u7b49\u6e29\u538b\u7f29\u548c\u76f8\u5e94\u7684\u89e3\u538b\u7f29\u65f6\u7684\u503c\u3002<\/p>\n

(a)\u4e2d\u63d2\u56fe\u8868\u793a,\u901a\u8fc7\u786c\u6838\u534a\u5f84\uff0c\u8f6f\u6838\u90e8\u5206\u8868\u5f81\u7684FJ\u52bf\u51fd\u6570U<\/em>(r<\/em>)\uff1b\u5177\u6709\u540c\u6837\u6781\u5c0f\u503c\u6df1\u5ea6\u548c\u4f4d\u7f6e\u7684LJ\u52bf\u51fd\u6570\u7528\u4f5c\u5bf9\u6bd4\u3002<\/p>\n

(b)\u5bf9\u4e8e\u4e00\u79cd\u6db2\u4f53\u7684\u4f4e\u6e29\u6db2\u6db2\u76f8\u53d8\uff0c\u672c\u5f81\u7ed3\u6784\u80fd\u91cfE<\/em>IS<\/sub>(v<\/em>)\u7684\u66f2\u7387\u968f\u7b49\u6e29\u7ebf(T<\/em><T<\/em>C<\/sub>)\u5fc5\u5b9a\u8868\u73b0\u4e3a\u4e00\u4e2a\u51f9\u5f62\u533a\u57df\u3002<\/p>\n

(b)\u548c(c)\u4e2d\uff0cLDA-HDA\u8f6c\u53d8\u7684\u672c\u5f81\u7ed3\u6784\u80fd\u91cf\u548c\u5f62\u72b6\u51fd\u6570\u901a\u8fc7\u25b3E<\/em>IS<\/sub>=-0.1\u548c\u25b3S<\/em>IS<\/sub>(v<\/em>)=-0.5\u8f6c\u5316\u3002<\/p>\n

\u56fe2\uff1a\u632f\u52a8\u80fdE<\/em>vib<\/sub>(v<\/em>)\u3001\u538b\u529bP<\/em>(v<\/em>)\u548c\u672c\u5f81\u7ed3\u6784\u538b\u529bP<\/em>IS<\/sub>(v<\/em>)\u968f\u4f53\u79ef\u53d8\u5316\u60c5\u51b5\u3002<\/strong><\/p>\n

\"\"<\/p>\n

(a)\u4e0d\u540c\u7b49\u6e29\u7ebf\u5904\uff0c\u632f\u52a8\u80fdE<\/em>vib<\/sub>(v<\/em>)\u968f\u4f53\u79ef\u53d8\u5316\u7684\u51fd\u6570\u5173\u7cfb\u3002\u5728\u6240\u6709\u6e29\u5ea6\u4e0b\uff0cE<\/em>vib<\/sub>(v<\/em>)\u662f\u4e00\u4e2a\u968fv<\/em>\u5fae\u5f31\u3001\u975e\u5355\u8c03\u53d8\u5316\u7684\u51fd\u6570\u503c\uff0c\u4e14\u5728v<\/em>=2.8-3.0\u5904\u53d6\u5f97\u6781\u5c0f\u503c\u3002\u53ef\u4ee5\u770b\u51fa\uff0cF<\/em>(v<\/em>)\u7684\u51f9\u5f62\u4ec5\u7531E<\/em>IS<\/sub>(v<\/em>)\u9020\u6210\uff0c\u6db2\u6db2\u76f8\u53d8\u7684\u8d77\u6e90\u4ec5\u4e3a\u672c\u5f81\u7ed3\u6784\u4e9a\u7cfb\u7edf\u3002<\/p>\n

(b)\u538b\u529bP<\/em>(v<\/em>)\u548c\u672c\u5f81\u7ed3\u6784\u538b\u529bP<\/em>IS<\/sub>(v<\/em>)\u5728T<\/em>=0.16\uff08\u4e0a\u4e09\u89d2\u5f62\uff09\uff0cT<\/em>=T<\/em>c<\/sub>=0.18\uff08\u94bb\u77f3\u5f62\uff09\uff0cT<\/em>=0.20\uff08\u6b63\u65b9\u5f62\uff09\u548cT<\/em>=0.22\uff08\u5706\u5f62\uff09\u65f6\u7684\u53d8\u5316\u60c5\u51b5\u3002<\/p>\n

(c)\u632f\u52a8\u538b\u529bP<\/em>vib<\/sub>(v<\/em>)\u548c\u672c\u5f81\u7ed3\u6784\u538b\u529bP<\/em>IS<\/sub>(v<\/em>)\u5728\u540c\u4e00\u6e29\u5ea6\u4e0b\u7684\u6bd4\u8f83\u3002\u53ef\u4ee5\u770b\u51fa\uff0c\u5728\u6db2\u6db2\u76f8\u53d8\u533a\u57df\uff0cP<\/em>vib<\/sub>(v<\/em>)\u5e76\u672a\u8868\u73b0\u51fa\u4efb\u4f55\u7684\u7c7b\u8303\u5fb7\u74e6\u5c14\u65af\u73af\u3002<\/p>\n

\u56fe3\uff1a\u6db2\u6001\u548c\u73bb\u7483\u6001\u7684P<\/em>IS<\/sub>(E<\/em>IS<\/sub>)\u548cS<\/em>IS<\/sub>(E<\/em>IS<\/sub>)\u53d8\u5316\u60c5\u51b5\u3002<\/strong><\/p>\n

\"\"<\/p>\n

P<\/em>IS<\/sub>(E<\/em>IS<\/sub>)\u548c(b) S<\/em>IS<\/sub>(E<\/em>IS<\/sub>)\u5728T<\/em>=0.01\uff0cLDA-HDA\u8f6c\u53d8\uff08\u5b9e\u5fc3\u6df1\u7eff\u8272\u5706\u70b9\uff09\u548cHDA-LDA\u8f6c\u53d8\uff08\u5b9e\u5fc3\u7ea2\u8272\u548c\u84dd\u8272\u5706\u70b9\uff0c\u84dd\u8272\u5706\u70b9\u8868\u793a\u4e24\u4e2a\u7ed3\u6676\u7684\u8f68\u8ff9\uff09\u65f6\u7684\u503c\u3002\u5e73\u8861\u6001\u6db2\u4f53\u76f8\u5e94\u7684\u503c\u4e5f\u5728\u56fe\u4e2d\u8868\u793a\u51fa\u6765\uff08\u7a7a\u5fc3\u7b26\u53f7\uff09\u3002<\/p>\n

\u3010\u5c0f\u7ed3\u3011<\/strong><\/p>\n

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\u6587\u732e\u94fe\u63a5\uff1a<\/strong>Anomalous Features in the Potential Energy Landscape of a Waterlike Monatomic\u00a0<\/a>Model with Liquid and Glass Polymorphism<\/a>(Phys.Rev.Lett.,2018, DOI: 10.1103\/PhysRevLett.120.035701)<\/p>\n

\u672c\u6587\u7531\u6750\u6599\u4eba\u8ba1\u7b97\u6750\u6599\u7ec4Isobel\u4f9b\u7a3f\uff0c\u6750\u6599\u725b\u6574\u7406\u7f16\u8f91\u3002<\/p>\n

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\u6b22\u8fce\u5927\u5bb6\u5230\u6750\u6599\u4eba\u5ba3\u4f20\u79d1\u6280\u6210\u679c\u5e76\u5bf9\u6587\u732e\u8fdb\u884c\u6df1\u5165\u89e3\u8bfb\uff0c\u6295\u7a3f\u90ae\u7bb1tougao@cailiaoren.com\u3002<\/p>\n

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