{"id":25743,"date":"2016-07-09T17:00:03","date_gmt":"2016-07-09T09:00:03","guid":{"rendered":"\/\/m.iemloyee.com\/?p=25743"},"modified":"2016-07-09T15:56:30","modified_gmt":"2016-07-09T07:56:30","slug":"nat-mater-%e5%af%86%e9%9b%86%e5%88%86%e5%ad%90%e6%9d%90%e6%96%99%e5%85%b7%e6%9c%89%e9%9d%9e%e5%af%b9%e7%a7%b0%e5%bc%b9%e6%80%a7%e5%8f%8a%e7%83%ad%e8%86%a8%e8%83%80%e6%80%a7%e8%83%bd-%e6%96%af","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=25743","title":{"rendered":"Nat. Mater. \u5bc6\u96c6\u5206\u5b50\u6750\u6599\u5177\u6709\u975e\u5bf9\u79f0\u5f39\u6027\u53ca\u70ed\u81a8\u80c0\u6027\u80fd \u65af\u5766\u798f\u5b66\u8005\u53d1\u73b0\u5176\u5fae\u89c2\u673a\u7406"},"content":{"rendered":"

\u3010\u6210\u679c\u7b80\u4ecb\u3011
\n\u5bf9\u5177\u6709\u9ad8\u5f39\u6027\u6a21\u91cf\u7684\u5206\u5b50\u6750\u6599\u6765\u8bf4\uff0c\u5176\u5f39\u6027\u6a21\u91cf\u548c\u70ed\u81a8\u80c0\u7cfb\u6570\uff08CTE\uff09\u5728\u62c9\u4f38\u6216\u8005\u538b\u7f29\u8bd5\u9a8c\u4e2d\u662f\u4e00\u81f4\uff08\u5bf9\u79f0\uff09\u7684\u3002\u4f46\u662f\uff0c\u65af\u5766\u798f\u5927\u5b66\u7684 Joseph A. Burg \u548cReinhold H. Dauskardt\u53d1\u73b0\u50cf\u6709\u673a\u7845\u9178\u76d0\u6742\u5316\u73bb\u7483\u819c\u8fd9\u6837\u7684\u5bc6\u96c6\u5206\u5b50\u6750\u6599\u5728\u62c9\u4f38\u8f7d\u8377\u548c\u538b\u7f29\u8f7d\u8377\u4f5c\u7528\u4e0b\uff0c\u8868\u73b0\u51fa\u660e\u663e\u4e0d\u540c\u7684\u5f39\u6027\u6a21\u91cf\u548c\u70ed\u81a8\u80c0\u7cfb\u6570\u3002\u7ecf\u8fc7\u4e00\u7cfb\u5217\u7684\u7814\u7a76\uff0c\u4ed6\u4eec\u53d1\u73b0\u5bc6\u96c6\u5206\u5b50\u6750\u6599\u7684\u975e\u5bf9\u79f0\u5f39\u6027\u53ca\u70ed\u81a8\u80c0\u6027\u80fd\u4e0e\u7ea6\u675f\u5206\u5b50\u7f51\u7edc\u8fde\u901a\u6027\u7684\u7ec8\u7aef\u5316\u5b66\u57fa\u56e2\u6709\u5173\u3002\u5728\u538b\u7f29\u8bd5\u9a8c\u4e2d\uff0c\u7ec8\u7aef\u5316\u5b66\u57fa\u56e2\u7684\u7a7a\u95f4\u76f8\u4e92\u4f5c\u7528\u5f3a\u5316\u4e86\u5206\u5b50\u7f51\u7edc\u7684\u8fde\u63a5\uff1b\u7136\u800c\uff0c\u5728\u62c9\u4f38\u8bd5\u9a8c\u4e2d\uff0c\u5b83\u4eec\u7684\u76f8\u4e92\u4f5c\u7528\u51cf\u5f31\uff0c\u540c\u65f6\u4e5f\u524a\u5f31\u4e86\u5206\u5b50\u7f51\u7edc\u7684\u8fde\u63a5\u3002\u5f15\u5165\u7eb3\u7c73\u7ea7\u7684\u5b54\u9699\u7ed3\u6784\uff0c\u968f\u7740\u5b54\u9699\u7387\u7684\u589e\u52a0\uff0c\u7ec8\u7aef\u5316\u5b66\u57fa\u56e2\u4e4b\u95f4\u7684\u5e73\u5747\u95f4\u9694\u8ddd\u79bb\u589e\u52a0\uff0c\u7a7a\u95f4\u76f8\u4e92\u4f5c\u7528\u51cf\u5f31\uff0c\u5f39\u6027\u6a21\u91cf\u7684\u4e0d\u5bf9 \u79f0\u5ea6\uff08\u538b\u7f29\u548c\u62c9\u4f38\u8bd5\u9a8c\u4e2d\u5f39\u6027\u6a21\u91cf\u7684\u6bd4\u503c\uff0cEC\/ET\uff09\u4e5f\u660e\u663e\u964d\u4f4e\u3002\u53e6\u5916\uff0c\u975e\u5bf9\u79f0\u5f39\u6027\u884c\u4e3a\u5bf9\u6750\u6599\u7684\u70ed\u81a8\u80c0\u6027\u80fd\u4e5f\u6709\u663e\u8457\u5f71\u54cd\u3002\u7531\u4e8e\u62c9\u4f38\u53d8\u5f62 \uff0c\u71b5\u529b\u6291\u5236\u4e86\u5206\u5b50\u7f51\u7edc\u7684\u70ed\u81a8\u80c0\u6216\u70ed\u6536\u7f29\u884c\u4e3a\uff0c\u538b\u7f29\u8fc7\u7a0b\u4e2d\u7684\u70ed\u81a8\u80c0\u7cfb\u6570\u503c\u6bd4\u62c9\u4f38\u8fc7\u7a0b\u4e2d\u7684\u5927\u3002<\/p>\n

\u65af\u5766\u798f\u7814\u7a76\u8005\u7814\u7a76\u4e86\u51e0\u79cd\u4ee3\u8868\u6027\u7684\u5206\u5b50\u589e\u5f3a\u578b\u6742\u5316\u73bb\u7483\u8584\u819c\u6750\u6599\uff0c\u4f7f\u7528\u7684\u524d\u9a71\u4f53\u5305\u62ec\u4e59\u70f7\u6865\u78b3\u6c27\u5316\u7269\u7845\u70f7\uff08Et-OCS\uff09\uff0c\u5e26\u7532\u57fa\u7684\u4e59\u70f7\u6865\u78b3\u6c27\u5316\u7269\u7845\u70f7 \uff08Et-OCS\uff08Me\uff09\uff09\u548c1,3,5-\u82ef\u7845\u70f7\u3002\u4f7f\u7528LAMMPS\u8f6f\u4ef6\uff0c\u91c7\u7528\u57fa\u4e8e\u5206\u5b50\u52a8\u529b\u5b66\u7684\u6a21\u62df\u9000\u706b\u7b97\u6cd5\u8fdb\u884c\u7cbe\u786e\u5efa\u6a21\uff0c\u6ca1\u6709\u5b9a\u4e49\u5f1b\u8c6b\u524d\u7684\u7f51\u7edc\u62d3\u6251\u7ed3\u6784\uff0c\u5e76\u4e14\u80fd\u591f\u751f\u6210\u53ef\u63a7\u6027\u826f\u597d\u7684\u8fde\u901a\u7f51\u7edc\u3002\u8fd9\u79cd\u5177\u6709\u975e\u5bf9\u79f0\u5f39\u6027\u53ca\u70ed\u81a8\u80c0\u6027\u80fd\u7684\u5bc6\u96c6\u5206\u5b50\u6750\u6599\u5728\u8584\u819c\u5668\u4ef6\u9886\u57df\u6709\u5e7f\u6cdb\u5e94\u7528\uff0c\u5305\u62ec\u8d85\u4f4e\u4ecb\u7535\u5e38\u6570\u5c42\uff08ULK\uff09\u3001\u6297\u53cd\u5c04\u6d82\u5c42\uff08AR\uff09\u7b49\u3002\u4e86\u89e3\u8fd9\u4e9b\u6750\u6599\u975e\u5bf9\u79f0\u70ed\u529b\u5b66\u6027\u80fd\u7684\u672c\u8d28\u673a\u7406\uff0c\u662f\u8fdb\u4e00\u6b65\u8ba1\u7b97\u7814\u7a76\u548c\u5b9e\u9645\u5e94\u7528\u7684\u57fa\u7840\u3002<\/p>\n

\u3010\u56fe\u6587\u7b80\u4ecb\u3011
\n\u56fe\u4e00 \u975e\u5bf9\u79f0\u5f39\u6027\u672c\u8d28\u4e0a\u4e0e\u7f51\u7edc\u8fde\u901a\u6027\u6709\u5173<\/strong><\/p>\n

\"nmat4674-f1\"
\n\u56fea \u524d\u9a71\u4f53\u548c\u5404\u81ea\u7684Si-X-Si\u7f51\u7edc\u8fde\u901a\u6027\uff08p\u8868\u793a\uff09\u3001Si\u7f51\u7edc\u534f\u540c\u6027\uff08CNSi\u8868\u793a\uff09\uff1b
\n\u56feb Et-OCS\u7684\u53ef\u89c6\u5316\u6a21\u578b\uff0c\u6807\u6ce8\u51fa\u4e86\u7ec8\u7aefO\u548c\u6865\u8054O\uff1b
\n\u56fec \u62c9\u4f38\uff08\u7ea2\u7ebf\uff09\u548c\u538b\u7f29\uff08\u84dd\u7ebf\uff09\u60c5\u51b5\u4e0b\u5f39\u6027\u6a21\u91cf\u4e0ep\u503c\u7684\u5173\u7cfb\u56fe\uff0c\u5b9e\u9a8c\u4e2dEt-OCS\u7684\u5f39\u6027\u6a21\u91cf\u5728\u6a21\u62df\u7684\u62c9\u4f38\u6a21\u91cf\u548c\u538b\u7f29\u6a21\u91cf\u4e4b\u95f4\uff1b
\n\u56fed \u5f39\u6027\u6a21\u91cf\u7684\u4e0d\u5bf9\u79f0\u5ea6EC\/ET\u662f\u5173\u4e8ep\u7684\u51fd\u6570\uff0c\u5176\u6570\u503c\u5206\u5e03\u7684\u8fb9\u754c\u7531\u6700\u5c0f\u786c\u5316\u7cfb\u6570\u0393min\uff08\u7ea2\u7ebf\uff09\u548c\u6700\u5927\u786c\u5316\u7cfb\u6570\u0393max\uff08\u84dd\u7ebf\uff09\u786e\u5b9a\u3002<\/p>\n

\u56fe\u4e8c \u5206\u5b50\u6a21\u578b\u4e2d\u7684\u7ec8\u7aef\u6c27\u539f\u5b50\u63a7\u5236\u4e0d\u5bf9\u79f0\u7684\u81ea\u7531\u4f53\u79ef\u53d8\u5316<\/strong><\/p>\n

\"nmat4674-f2\"
\n\u56fea Voronoi\u9576\u5d4c\u7684\u53ef\u89c6\u5316\u6a21\u578b\uff0c\u786e\u5b9a\u4e86\u6676\u80de\u4e2d\u6bcf\u4e2a\u539f\u5b50\u7684\u4f53\u79ef\u2126\uff1b
\n\u56feb \u5355\u4e2a\u539f\u5b50\u4f53\u79ef\u7684\u6982\u7387\u5bc6\u5ea6\u51fd\u6570\uff08\u63d2\u56fe\u5c55\u793a\u4e86\u4e00\u4e2aVoronoi\u5355\u5143\uff09\uff0c\u5176\u4e2d\u7eff\u7ebf\u4ee3\u8868Et-OCS\u7684\u6240\u6709\u539f\u5b50\uff0c\u7ea2\u7ebf\u4ee3\u8868\u6865\u8054O\u539f\u5b50\u548c\u7ec8\u7aefO\u539f\u5b50\uff0c\u84dd\u7ebf\u4ee3\u8868C\u539f\u5b50\uff0c\u9ed1\u7ebf\u4ee3\u8868Si\u539f\u5b50\uff1b
\n\u56fec \u62c9\u4f38\u548c\u538b\u7f29\u8f7d\u8377\u4e0b\u539f\u5b50\u81ea\u7531\u4f53\u79ef\u7684\u5f52\u4e00\u5316\u53d8\u5316\uff0c\u5176\u4e2d\u7eff\u7ebf\u4ee3\u8868Et-OCS\u6574\u4f53\uff0c\u7ea2\u7ebf\u4ee3\u8868\u7ec8\u7aefO\u539f\u5b50\uff0c\u6a59\u7ebf\u4ee3\u8868\u6865\u8054O\u539f\u5b50\uff0c\u84dd\u7ebf\u4ee3\u8868C\u539f\u5b50\uff0c\u9ed1\u7ebf\u4ee3\u8868Si\u539f\u5b50\uff1b
\n\u56fed \u5f52\u4e00\u5316\u7684\u7ec8\u7aefO\u539f\u5b50\u4f53\u79ef\u4e0e\u7f51\u7edc\u8fde\u901a\u6027\u7684\u5173\u7cfb\uff0c\u84dd\u7ebf\u4ee3\u8868\u538b\u7f29\u72b6\u6001\uff0c\u7ea2\u7ebf\u4ee3\u8868\u62c9\u4f38\u72b6\u6001\uff0c\u7eff\u7ebf\u4ee3\u8868\u5e73\u8861\u72b6\u6001\uff0c\u5728p\u503c\u7ea6\u4e3a0.77-0.87\u7684\u533a\u95f4\u5185\uff0c\u5f39\u6027\u7684\u4e0d\u5bf9\u79f0\u5ea6\u6700\u9ad8\u3002<\/p>\n

\u56fe\u4e09 \u70ed\u81a8\u80c0\u7cfb\u6570\u7684\u4e0d\u5bf9\u79f0\u6027\u4e0e\u71b5\u529b\u7684\u6291\u5236\u4f5c\u7528\u6709\u5173<\/strong><\/p>\n

\"nmat4674-f3\"
\n\u56fea Et-OCS\u70ed\u81a8\u80c0\u7cfb\u6570\uff08CTE\uff09\u662f\u5916\u52a0\u538b\u529b\u7684\u51fd\u6570\uff0c\u5176\u4e2d\u84dd\u7ebf\u4ee3\u8868\u70ed\u81a8\u80c0\u8fc7\u7a0b\uff0c\u9ed1\u7ebf\u4ee3\u8868\u70ed\u6536\u7f29\u8fc7\u7a0b\uff1b
\n\u56feb \u968f\u7740\u5916\u52a0\u538b\u529b\u7684\u589e\u5927\uff0c\u71b5\u529b\u5bf9\u70ed\u5e94\u53d8\u7684\u963b\u788d\u4f5c\u7528\u4e5f\u9010\u6e10\u589e\u5f3a\u3002<\/p>\n

\u56fe\u56db \u7eb3\u7c73\u7ea7\u5b54\u9699\u7ed3\u6784\u964d\u4f4e\u5f39\u6027\u6a21\u91cf\u7684\u4e0d\u5bf9\u79f0\u5ea6<\/strong><\/p>\n

\"nmat4674-f4\"
\n\u56fea \u5728\u57fa\u4f53\u7f51\u7edc\u4e2d\u5f15\u5165\u81f4\u5b54\u5242\u5206\u5b50\uff0c\u5176\u8868\u9762\u5f62\u8c8c\u5982\u7070\u8272\u7684\u5206\u5b50\u6a21\u578b\u6240\u793a\uff1b
\n\u56feb \u5206\u79bb\u51fa\u57fa\u4f53\u4e2d\u7684\u81f4\u5b54\u5242\u5206\u5b50\uff08\u6a21\u62df\u81f4\u5b54\u5242\u7684\u6d88\u8017\u8fc7\u7a0b\uff09\uff0c\u5e76\u5f15\u5165\u7eb3\u7c73\u7ea7\u7684\u5b54\u9699\uff1b
\n\u56fec \u968f\u7740\u5b54\u9699\u7387\u7684\u589e\u52a0\uff0c\u62c9\u4f38\u53ca\u538b\u7f29\u72b6\u6001\u4e0b\u7684\u5f39\u6027\u6a21\u91cf\u5747\u51cf\u5c0f\uff1b
\n\u56fed \u968f\u7740\u5b54\u9699\u7387\u7684\u589e\u52a0\uff0c\u805a\u96c6\u5728\u5185\u5b54\u8868\u9762\u7684\u7ec8\u7aefO\u539f\u5b50\uff08\u63d2\u56fe\u4e2d\u7684\u7ea2\u8272\u5c0f\u7403\uff09\u4e5f\u8d8a\u6765\u8d8a\u591a\uff1b
\n\u56fee \u5f39\u6027\u6a21\u91cf\u7684\u4e0d\u5bf9\u79f0\u5ea6EC\/ET\u662f\u5173\u4e8e\u5b54\u9699\u7387\u7684\u51fd\u6570\uff0c\u5176\u6570\u503c\u5206\u5e03\u7684\u8fb9\u754c\u7531\u6700\u5c0f\u786c\u5316\u7cfb\u6570\u0393min\uff08\u7ea2\u7ebf\uff09\u548c\u6700\u5927\u786c\u5316\u7cfb\u6570\u0393max\uff08\u84dd\u7ebf\uff09\u786e\u5b9a\uff1b
\n\u56fef \u5b9e\u9a8c\u91c7\u7528\u4e24\u79cd\u81f4\u5b54\u5242\u6765\u5f15\u5165\u4e0d\u540c\u5c3a\u5bf8\u548c\u5f62\u8c8c\u7684\u7eb3\u7c73\u7ea7\u5b54\u9699\uff0c\u5176\u4e2d\u4e00\u79cd\u5355\u4e2a\u5206\u5b50\u4e0a\u670920\u4e2aC\u539f\u5b50\uff08\u7ea2\u8272\u8868\u793a\uff09\uff0c\u53e6\u4e00\u79cd\u5355\u4e2a\u5206\u5b50\u4e0a\u670940\u4e2aC\u539f\u5b50\uff08\u9ed1\u8272\u8868\u793a\uff09\u3002\u65e0\u8bba\u4f55\u79cd\u5f62\u8c8c\uff0c\u53ea\u8981\u5b54\u9699\u5e73\u5747\u4f53\u79ef\u5c0f\u4e8e\u7eb3\u7c73\u591a\u5b54\u7f51\u7edc\u603b\u4f53\u79ef\u76844%\uff08\u76f4\u5f84\u7ea6\u4e3a2nm\uff09\uff0c\u5747\u80fd\u663e\u8457\u964d\u4f4e\u5f39\u6027\u6a21\u91cf\u7684\u4e0d\u5bf9\u79f0\u5ea6\u3002<\/p>\n

\u56fe\u4e94 \u53d7\u7f51\u7edc\u8fde\u901a\u6027\u548c\u5bc6\u5ea6\u63a7\u5236\u7684\u5f39\u6027\u6a21\u91cf\u7684\u4e0d\u5bf9\u79f0\u5ea6\u7684\u8bbe\u8ba1\u7a7a\u95f4<\/strong><\/p>\n

\"nmat4674-f5\"
\n\u4ee5\u7f51\u7edc\u7684\u8fde\u901a\u6027\u548c\u6750\u6599\u7684\u5bc6\u5ea6\u4e3a\u53d8\u91cf\uff0c\u91c7\u7528Et-OCS(Me), Et-OCS, 1,3,5-\u82ef\u7845\u70f7\u548c\u03b1-SiO2\u4f5c\u524d\u9a71\u4f53\uff0c\u751f\u6210\u4e86\u5982\u56fe\u6240\u793a\u7684\u6700\u5927\u4e0d\u5bf9\u79f0\u5ea6EC\/ET\u7684\u5bc6\u5ea6\u56fe\u3002<\/p>\n

\u3010\u5c0f\u7ed3\u3011
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\u6587\u732e\u94fe\u63a5\uff1aElastic and thermal expansion asymmetry in dense molecular materials<\/a>\uff08Nature Mater. , 27\u00a0June 2016 , DOI:\u00a010.1038\/nmat4674\uff09<\/p>\n

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