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\"bade7a42-be96-4b75-a0ec-c63ecd3e3bfb\"<\/p>\n

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van Duin\u4e5f\u662f\u6750\u6599\u8ba1\u7b97\u4e2d\u5fc3\uff08\u5bbe\u5dde\u5dde\u7acb\u5927\u5b66\u6750\u6599\u7814\u7a76\u6240\u7528\u6237\u8bbe\u5907\u7684\u4e00\u4e2a\u90e8\u95e8\uff09\u7684\u4e3b\u4efb\uff0c\u4ed6\u4ecb\u7ecd\u9053\uff1a\u201c\u5bf9\u4e8e\u60f0\u6027\u6c14\u4f53\u79bb\u5b50\u52a0\u901f\u8fdb\u5165\u77f3\u58a8\u70ef\u7684\u8fc7\u7a0b\uff0c\u6211\u4eec\u5df2\u7ecf\u505a\u4e86\u4e00\u7cfb\u5217\u7684\u539f\u5b50\u5c3a\u5ea6\u6a21\u62df\u3002\u6a21\u62df\u51fa\u7684\u5f88\u591a\u7f3a\u9677\u56fe\u6848\u548c\u5b9e\u9a8c\u7ed3\u679c\u76f8\u540c\uff0c\u8fd9\u610f\u5473\u7740\u6211\u4eec\u7684\u6a21\u62df\u80fd\u544a\u77e5\u5b9e\u9a8c\u8005\uff0c\u539f\u5b50\u7c7b\u578b\u548c\u52a0\u901f\u5ea6\u5bf9\u7f3a\u9677\u7c7b\u578b\u7684\u5f71\u54cd\u3002\u201d<\/p>\n

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\u6587\u7ae0\u7684\u4e3b\u8981\u4f5c\u8005\u3001van Duin\u8bfe\u9898\u7ec4\u7684\u4e00\u540d\u7814\u7a76\u751fKichuel Yoon\u8bf4\u9053\uff1a\u201c\u8fd9\u9879\u7814\u7a76\u4e3a\u77f3\u58a8\u70ef\u653e\u5c04\u7684\u539f\u5b50\u5c3a\u5ea6\u7684\u8be6\u7ec6\u4fe1\u606f\uff0c\u63d0\u4f9b\u4e86\u4e00\u79cd\u72ec\u5230\u89c1\u89e3\uff0c\u5e76\u4e14\u662f\u4e8c\u7ef4\u529f\u80fd\u78b3\u6750\u6599\u8bbe\u8ba1\u7684\u521d\u6b65\u63a2\u7d22\u3002\u201d<\/p>\n

van Duin\u8865\u5145\u9053\uff1a\u201c\u5f88\u663e\u7136\uff0c\u8fd9\u9879\u7814\u7a76\u65e0\u8bba\u5982\u4f55\u4e0d\u80fd\u7ed5\u8fc7\u77f3\u58a8\u70ef\uff0c\u4efb\u4f55\u4e8c\u7ef4\u6750\u6599\u90fd\u53ef\u4ee5\u505a\u540c\u6837\u7684\u6a21\u62df\u3002\u53ea\u8981\u6709\u4eba\u60f3\u7814\u7a76\u4e8c\u7ef4\u6750\u6599\u7684\u63ba\u6742\uff0c\u6216\u8005\u60f3\u4e86\u89e3\u7f3a\u9677\uff0c\u90a3\u4e48\u5c31\u4e00\u5b9a\u4f1a\u5bf9\u8fd9\u4e9b\u7684\u6a21\u62df\u611f\u5174\u8da3\u3002\u201d<\/p>\n

\u7814\u7a76\u4eba\u5458\u6253\u7b97\u7ee7\u7eed\u548c\u6d1b\u514b\u5e0c\u5fb7\u9a6c\u4e01\u516c\u53f8\u5408\u4f5c\uff0c\u6df1\u5165\u7814\u7a76\u4e8c\u7ef4\u6750\u6599\u5728\u822a\u7a7a\u822a\u5929\u4e2d\u7684\u5e94\u7528\uff0c\u5e76\u4e14\u8ba1\u5212\u7814\u7a76\u4ee5\u77f3\u58a8\u70ef\u4e3a\u57fa\u7840\u7684\u6d77\u6c34\u6de1\u5316\u6280\u672f\u3002\u6d1b\u514b\u5e0c\u5fb7\u9a6c\u4e01\u516c\u53f8\u7684Jacob Swett\u4e3a\u5b9e\u9a8c\u51c6\u5907\u4e86\u6837\u54c1\uff0c\u8fd9\u5bf9\u9879\u76ee\u7684\u63a8\u8fdb\u81f3\u5173\u91cd\u8981\u3002<\/p>\n

\u4e3a\u4e86\u5c06\u6a21\u62df\u8fc7\u7a0b\u548c\u5b9e\u9a8c\u8054\u7cfb\u8d77\u6765\uff0c\u7814\u7a76\u4eba\u5458\u501f\u52a9\u6a61\u6811\u5cad\u56fd\u5bb6\u5b9e\u9a8c\u5ba4\u7684\u7eb3\u7c73\u6750\u6599\u79d1\u5b66\u4e2d\u5fc3\uff08CNMS\uff09\uff0c\u7528\u79bb\u5b50\u8f70\u51fb\u6750\u6599\u4ea7\u751f\u7f3a\u9677\uff0c\u5e76\u901a\u8fc7\u539f\u5b50\u5206\u8fa8\u7387\u6210\u50cf\u624b\u6bb5\u8868\u5f81\u8fd9\u4e9b\u7f3a\u9677\u3002<\/p>\n

\u4e00\u4f4d\u6a61\u6811\u5cad\u56fd\u5bb6\u5b9e\u9a8c\u5ba4\uff08ORNL\uff09\u7684\u7814\u53d1\u4eba\u5458Raymond Unocic\u8bf4\uff1a\u201c\u5728\u7eb3\u7c73\u6750\u6599\u79d1\u5b66\u4e2d\u5fc3\uff08CNMS\uff09\uff0c\u6211\u4eec\u6709\u56fd\u5bb6\u6700\u5148\u8fdb\u7684\u6c26\u548c\u6c16\u79bb\u5b50\u675f\u4ee5\u53ca\u50cf\u5dee\u6821\u6b63\u626b\u63cf\u900f\u5c04\u7535\u5b50\u663e\u5fae\u955c\uff0c\u53ef\u4ee5\u7528\u6765\u8fdb\u884c\u539f\u5b50\u5c3a\u5ea6\u7684\u8868\u5f81\u3002\u201d<\/p>\n

\u539f\u6587\u94fe\u63a5\uff1aNew simulation technique predicts noble defects in 2D materials<\/a>\u3002<\/span><\/p>\n

\u6587\u732e\u94fe\u63a5\uff1aAtomistic-Scale Simulations of Defect Formation in Graphene under Noble Gas Ion Irradiation<\/a>\u3002<\/p>\n

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