{"currentpage":1,"firstResult":0,"maxresult":10,"pagecode":5,"pageindex":{"endPagecode":5,"startPagecode":1},"records":[{"abstractinfo":"转光膜是一类可转换光波波长的功能膜,它可将某些对植物有害以及不能引发植物光合作用的光转化成为可引发植物光合作用的光.概述了农用转光剂及转光膜的作用原理、研究和应用状况,具体描述了转光剂的分类及转光膜的制备方法,并讨论了农用转光剂及转光膜的研究进展及发展趋势.","authors":[{"authorName":"胡泽善","id":"91bc3fc5-f387-4846-8ab5-2d7a3507277d","originalAuthorName":"胡泽善"},{"authorName":"李岚华","id":"334e45f2-4eff-4886-9e1a-e59eab5d2b1f","originalAuthorName":"李岚华"},{"authorName":"邵承斌","id":"a4d899e6-2bd7-42cf-936e-dec60ca8943e","originalAuthorName":"邵承斌"},{"authorName":"蔡强","id":"81c05dbd-731b-47e0-b97b-70794fbc1bee","originalAuthorName":"蔡强"}],"doi":"","fpage":"290","id":"66282aea-c9cd-4685-89f1-87723819565c","issue":"Z2","journal":{"abbrevTitle":"CLDB","coverImgSrc":"journal/img/cover/CLDB.jpg","id":"8","issnPpub":"1005-023X","publisherId":"CLDB","title":"材料导报"},"keywords":[{"id":"1c78b6c6-cfce-49a5-aee3-26944f3cc60f","keyword":"转光膜","originalKeyword":"转光膜"},{"id":"2d3e9303-70a7-49ce-b15b-1263fe161a53","keyword":"作用原理","originalKeyword":"作用原理"},{"id":"37d91c9c-b77c-40fa-95c2-233e3cd9140d","keyword":"应用现状","originalKeyword":"应用现状"},{"id":"e5f8616d-29f2-4249-9d41-cc8ce8a33b37","keyword":"研究进展","originalKeyword":"研究进展"}],"language":"zh","publisherId":"cldb2008Z2085","title":"转光膜材料及研究现状","volume":"22","year":"2008"},{"abstractinfo":"为了消除铝合金构件中的气孔、氧化夹杂等冶金缺陷,满足现代武器装备对铝合金构件内部质量和力学性能的高要求,对从乌克兰引进的等离子净化装置进行了分析和研究.介绍了等离子净化装置的结构特点和工作原理,以及国外采用该装置在不同介质下对三种典型铝合金熔体的净化效果.采用该装置对国产2A50铝合金熔体处理的净化效果进行了试验研究.结果表明,该装置设计合理、操作方便,对铝熔体除气效果好,属环保型设备.","authors":[{"authorName":"贾云生","id":"76a9dc96-22bf-4c14-bce9-2dced2c4110d","originalAuthorName":"贾云生"},{"authorName":"郝利兵","id":"87575566-bafc-4dfe-8fcc-f9fcf612fdac","originalAuthorName":"郝利兵"},{"authorName":"徐国辉","id":"657b14ff-45fa-4be4-8633-7c9f307e25ef","originalAuthorName":"徐国辉"},{"authorName":"刘环恩","id":"b66c7ffc-4bb2-4120-99ac-4b28013c0e4c","originalAuthorName":"刘环恩"}],"doi":"10.3969/j.issn.1004-244X.2006.05.022","fpage":"73","id":"6bc55a8a-dc90-4ea3-9e36-f6efa7911897","issue":"5","journal":{"abbrevTitle":"BQCLKXYGC","coverImgSrc":"journal/img/cover/BQCLKXYGC.jpg","id":"4","issnPpub":"1004-244X","publisherId":"BQCLKXYGC","title":"兵器材料科学与工程 "},"keywords":[{"id":"a3c2fe85-0ee5-42db-b099-a4cadce78169","keyword":"等离子","originalKeyword":"等离子"},{"id":"d2949866-bb8c-41a7-bfd3-00b62eb98949","keyword":"净化装置","originalKeyword":"净化装置"},{"id":"ea3b9d69-2640-4d28-9a0e-8446934d7d41","keyword":"铝合金熔体","originalKeyword":"铝合金熔体"},{"id":"12b006a4-ba5d-48e1-bb5e-a906ddea616e","keyword":"结构特点","originalKeyword":"结构特点"},{"id":"8ff09bdc-e994-4b49-831f-4015349742b9","keyword":"作用原理","originalKeyword":"作用原理"}],"language":"zh","publisherId":"bqclkxygc200605022","title":"等离子净化装置在铝熔体净化中的应用研究","volume":"29","year":"2006"},{"abstractinfo":"从第一性原理出发利用密度泛函理论研究了4, 4′-二巯基联苯分子和金表面的相互作用, 并利用了前线轨道理论和微扰理论定量地确定了该相互作用能常数. ","authors":[{"authorName":"李红海","id":"05c8446e-f30e-4145-88d2-d965055b2c25","originalAuthorName":"李红海"},{"authorName":"李英德","id":"77667c15-9850-463d-9c0d-6a05df511806","originalAuthorName":"李英德"},{"authorName":"王彦华","id":"8e9b9d14-ec84-4b13-9eb4-937778d470d2","originalAuthorName":"王彦华"},{"authorName":"王传奎","id":"747efc44-ec2b-40c2-aff1-63d2030d16d5","originalAuthorName":"王传奎"}],"doi":"10.3969/j.issn.1007-4627.2002.02.037","fpage":"218","id":"9f22af0b-fc38-46ae-829c-1f97bf8a4cfe","issue":"2","journal":{"abbrevTitle":"YZHWLPL","coverImgSrc":"journal/img/cover/YZHWLPL.jpg","id":"78","issnPpub":"1007-4627","publisherId":"YZHWLPL","title":"原子核物理评论 "},"keywords":[{"id":"42688c9b-fe6f-4d9d-8d72-186cd9daf17a","keyword":"化学吸附","originalKeyword":"化学吸附"},{"id":"90d51a41-bfc3-4791-9279-e2f2106bbc6e","keyword":"分子电子学","originalKeyword":"分子电子学"},{"id":"936b16ce-df8f-4b1c-9cb4-2d87e1060b15","keyword":"相互作用能常数","originalKeyword":"相互作用能常数"}],"language":"zh","publisherId":"yzhwlpl200202037","title":"分子和金表面相互作用的第一性原理研究","volume":"19","year":"2002"},{"abstractinfo":"油藏多孔介质渗流过程存在多场耦合作用,目前的一些研究方法和分析模型具有一定局限性.本文将不可逆热力学原理应用于油藏复杂渗流过程,在局域平衡和连续性假设基础上,提出了基于表征单元体(Representative Elementary Volume,简称REV)的元胞描述方法;推导出了多孔介质渗流过程考虑导热和扩散作用的耦合方程;基于所建模型,分析了稠油热采过程的熵产变化特性.稠油热采过程除包括热传导和扩散耦合作用外,还包括黏滞流动和化学反应等不可逆过程,可根据本文模型扩展.","authors":[{"authorName":"王志国","id":"569f37c4-88dc-4aa6-b36f-afe07a7f1c28","originalAuthorName":"王志国"},{"authorName":"宋明启","id":"ed4ac0e2-542b-47b0-b770-3b87e5563614","originalAuthorName":"宋明启"},{"authorName":"贾永英","id":"ac25f733-bf6e-4400-b387-b863d4ac39f6","originalAuthorName":"贾永英"},{"authorName":"马一太","id":"145c6933-2b9e-456f-9a2e-b802aa27ce83","originalAuthorName":"马一太"},{"authorName":"项新耀","id":"69436534-421e-4ca8-b175-8960f74189c5","originalAuthorName":"项新耀"}],"doi":"","fpage":"2149","id":"1c8e1eff-ecd3-4b24-ac79-19c8776366bd","issue":"11","journal":{"abbrevTitle":"GCRWLXB","coverImgSrc":"journal/img/cover/GCRWLXB.jpg","id":"32","issnPpub":"0253-231X","publisherId":"GCRWLXB","title":"工程热物理学报 "},"keywords":[{"id":"b6df3843-10c1-4fe0-8567-36d2ff2a7d23","keyword":"不可逆热力学","originalKeyword":"不可逆热力学"},{"id":"dd555a1d-81bf-48e7-a77e-6fa57577f23e","keyword":"耦合作用","originalKeyword":"耦合作用"},{"id":"ff102610-efc8-4efb-a989-541f4f385277","keyword":"油藏多孔介质","originalKeyword":"油藏多孔介质"},{"id":"34795ff2-2d73-4390-85c4-fe1c1b9db9c0","keyword":"表征单元体","originalKeyword":"表征单元体"},{"id":"29c4fa7b-a405-4d00-b7f3-b731f011e645","keyword":"熵产率","originalKeyword":"熵产率"}],"language":"zh","publisherId":"gcrwlxb201411009","title":"基于不可逆热力学原理的油藏多孔介质耦合作用模型","volume":"35","year":"2014"},{"abstractinfo":"采用第一原理方法,计算了MoSi_2及其三元合金(Mo,M)Si_2(M=Nb、Tc、Ta、W)的电子结构,表面能(γ_s),不稳定层错能(γ_(us)),以及弹性常数.从\"韧化参数\"D-γ_s/γ_(us)以及弹性性质两个方面研究了合金化对MoSi_2韧性的影响.研究表明,MoSi_2(001)Si-|-Si具有较低的表面能,是最可能的解理面;带有方向性的强Mo4d-Si3p共价键是MoSi_2本征脆性的最主要原因.Nb、Tc、Ta合金化有利于增强MoSi_2的韧性;W则起到增脆作用.合金增韧的主要原因是弱M4d-Si3p键代替了方向性的强Mo4d-Si3p键.","authors":[{"authorName":"杜伟","id":"4deb4805-52b1-404d-94fa-1f75deffeaac","originalAuthorName":"杜伟"},{"authorName":"张来启","id":"7d31d431-5d0c-4215-b49b-bcfd795d12c9","originalAuthorName":"张来启"}],"doi":"","fpage":"232","id":"fad23fd7-f58d-45f9-9b34-07691a6f05d5","issue":"2","journal":{"abbrevTitle":"CLKXYGCXB","coverImgSrc":"journal/img/cover/CLKXYGCXB.jpg","id":"13","issnPpub":"1673-2812","publisherId":"CLKXYGCXB","title":"材料科学与工程学报"},"keywords":[{"id":"7591fed5-6ff9-4a27-9fe0-f9b4b1f4b93a","keyword":"MoSi_2","originalKeyword":"MoSi_2"},{"id":"13df577a-7ab0-48a7-bd7d-932bfbbacd28","keyword":"本征脆性","originalKeyword":"本征脆性"},{"id":"c3e1805d-2fce-48a6-82db-7b4da02059eb","keyword":"合金化","originalKeyword":"合金化"},{"id":"f0368b0c-057d-41cc-a073-b0feefa9dc8d","keyword":"第一原理","originalKeyword":"第一原理"}],"language":"zh","publisherId":"clkxygc201002017","title":"MoSi_2本征脆性及其合金化作用的第一原理计算","volume":"28","year":"2010"},{"abstractinfo":"利用第一性原理对Ag,N,K三种不同族元素掺杂氧化锌的电子结构进行了研究,计算了完整晶胞和存在氧空位缺陷时掺杂晶胞的品格结构、氧空位形成能、态密度及能带结构.氧空位会使受主掺杂的晶格常数及晶胞体积变大;在钾掺杂的晶胞中氧空位的形成能更低,更容易产生氧空位;三种不同的掺杂体系中,Ag掺杂的空穴电导率最高;最后分析了氧空位对三种掺杂体系导电性的影响.","authors":[{"authorName":"郭保智","id":"783aedfc-d261-4ac1-b2d2-17b45fc3a642","originalAuthorName":"郭保智"},{"authorName":"刘永生","id":"da7e30bc-cb0b-4044-b1cb-0877c231c2d2","originalAuthorName":"刘永生"},{"authorName":"武新芳","id":"1b06aea4-0c76-477c-a223-8d7cea7acc51","originalAuthorName":"武新芳"},{"authorName":"房文健","id":"e34dfee3-4b66-4b22-90ce-12a9cfd86545","originalAuthorName":"房文健"},{"authorName":"彭麟","id":"bf5ada6e-0fc9-46ff-a52c-767ca8f37716","originalAuthorName":"彭麟"},{"authorName":"高湉","id":"c0ca5011-61e0-4005-bfec-905d73d346d4","originalAuthorName":"高湉"}],"doi":"","fpage":"211","id":"a61da183-4474-4d11-8aa0-bce417beeb60","issue":"1","journal":{"abbrevTitle":"RGJTXB","coverImgSrc":"journal/img/cover/RGJTXB.jpg","id":"57","issnPpub":"1000-985X","publisherId":"RGJTXB","title":"人工晶体学报"},"keywords":[{"id":"307c7e43-5d37-4408-98c7-99e96068a77c","keyword":"ZnO","originalKeyword":"ZnO"},{"id":"363352b9-87d4-401f-b8e6-8f4feff9adff","keyword":"掺杂","originalKeyword":"掺杂"},{"id":"ccffbac4-2c0a-46c3-ad9c-3ad689c1dd92","keyword":"氧空位","originalKeyword":"氧空位"},{"id":"7a91fa04-dbb8-4149-a388-90eb872593f0","keyword":"第一性原理","originalKeyword":"第一性原理"}],"language":"zh","publisherId":"rgjtxb98201401036","title":"ZnO氧空位与掺杂原子相互作用第一性原理研究","volume":"43","year":"2014"},{"abstractinfo":"基于密度泛函理论,通过Materials Studio软件模拟计算赤铁矿晶体结构以及(001)解理面的电子结构,研究其电子结构对抑制剂吸附的影响,讨论淀粉片段分子、水分子、氢氧根离子在赤铁矿(001)表面的竞争吸附.结果表明:与水分子、氢氧根离子相比,淀粉更易在赤铁矿表面吸附,且淀粉在赤铁矿表面的吸附主要是通过氢键作用,这与实际研究相符.模拟计算结果为进一步研发新型赤铁矿抑制剂提供理论依据.","authors":[{"authorName":"张行荣","id":"77e15953-a4fd-4b6a-b2db-bb92154d8047","originalAuthorName":"张行荣"},{"authorName":"郑桂兵","id":"4c473d35-2050-4b6a-9498-d7353f21640c","originalAuthorName":"郑桂兵"},{"authorName":"艾晶","id":"72edefb9-1cfc-4afb-82ca-c7e5afa22977","originalAuthorName":"艾晶"},{"authorName":"刘崇峻","id":"148d79de-c6a9-4139-8e63-9b05d53bad5c","originalAuthorName":"刘崇峻"},{"authorName":"尚衍波","id":"9f02ae6a-7f5d-4de8-9129-4bf56e2a1f81","originalAuthorName":"尚衍波"}],"doi":"","fpage":"465","id":"9abe36e2-ef60-4fab-94ae-4884dfa800c3","issue":"2","journal":{"abbrevTitle":"ZGYSJSXB","coverImgSrc":"journal/img/cover/ZGYSJSXB.jpg","id":"88","issnPpub":"1004-0609","publisherId":"ZGYSJSXB","title":"中国有色金属学报"},"keywords":[{"id":"e9f9118e-215b-41df-8069-327ffb47b992","keyword":"密度泛函理论","originalKeyword":"密度泛函理论"},{"id":"9c0da070-9a80-4176-b158-7d56bd1ae950","keyword":"赤铁矿","originalKeyword":"赤铁矿"},{"id":"0b34a99b-cc46-41c9-8b44-7459c50c4b6c","keyword":"反浮选","originalKeyword":"反浮选"},{"id":"088a2b21-e8a2-499f-ae0d-6aba53fb8013","keyword":"抑制剂","originalKeyword":"抑制剂"},{"id":"e50a8d2d-3b97-4c19-aadf-7005ce957831","keyword":"淀粉","originalKeyword":"淀粉"}],"language":"zh","publisherId":"zgysjsxb201602026","title":"赤铁矿反浮选淀粉抑制作用第一性原理","volume":"26","year":"2016"},{"abstractinfo":"利用第一原理平面波赝势方法研究β钛间隙原子氧与合金原子(Nb,Zr,Sn)相互作用以及氧在β钛中的扩散.氧在纯β钛中的扩散研究表明:在0 K下,由于β钛在低温下的结构不稳定性,氧在β钛中的稳定位置偏离高对称的八面体间隙位置,其扩散势能曲线为\"W\"型;随着电子温度的升高,β钛结构稳定性增加,扩散势能曲线趋于抛物线型.合金原子与氧的相互作用能计算结果表明,合金原子与其最近邻八面体中的氧相互排斥,与次近邻氧吸引.从合金原子与氧的化学作用及弹性作用两个角度对相互作用能进行分析.在TiNb中氧倾向于占据周围Ti原子较多且最近邻位置有Ti的八面体间隙.","authors":[{"authorName":"祝令刚","id":"d0a8ca21-ebbe-4113-84f0-501ee72f197e","originalAuthorName":"祝令刚"},{"authorName":"胡青苗","id":"ca3b7e13-656e-40b4-9469-f570b0c5f03a","originalAuthorName":"胡青苗"},{"authorName":"杨锐","id":"f6a8e4bc-2990-41bb-bf31-f6a79bc2a7b0","originalAuthorName":"杨锐"}],"doi":"","fpage":"544","id":"9249dff3-c937-4614-bee3-ddba0d87443d","issue":"z1","journal":{"abbrevTitle":"ZGYSJSXB","coverImgSrc":"journal/img/cover/ZGYSJSXB.jpg","id":"88","issnPpub":"1004-0609","publisherId":"ZGYSJSXB","title":"中国有色金属学报"},"keywords":[{"id":"a81203c2-0133-4db4-a3bb-850738b2b88f","keyword":"β钛合金","originalKeyword":"β钛合金"},{"id":"a432a682-bf1d-4596-9638-6234434628d4","keyword":"第一性原理","originalKeyword":"第一性原理"},{"id":"6b724df8-b183-41bb-aaec-05d4f1a7239d","keyword":"间隙扩散","originalKeyword":"间隙扩散"},{"id":"37cc133c-d069-4dd8-a2f1-1bec763af7ff","keyword":"电子温度","originalKeyword":"电子温度"}],"language":"zh","publisherId":"zgysjsxb2010z1114","title":"β钛中合金原子与间隙氧的相互作用及氧在β钛合金中扩散的第一性原理研究","volume":"20","year":"2010"},{"abstractinfo":"

采用Wagner-Schottky点缺陷热力学模型和第一性原理平面波赝势方法,计算研究了D019-Ti3Al金属间化合物中空位和反位2种类型点缺陷的形成焓、平衡浓度及相互作用。结果表明,这些缺陷的平衡浓度均随温度升高而增大,反位缺陷浓度均高于空位缺陷,Ti原子空位的浓度高于Al原子空位。在理想化学计量比成分下,Ti原子反位与Al原子反位缺陷浓度基本相当;在略偏离计量比的富Ti成分端,Ti原子的反位缺陷浓度高于Al原子;在富Al成分端则情形相反。计算结果表明,3种点缺陷对(AlTi-TiAl、TiAl-TiAlVAl-AlTi)在基体中具有较强的聚集趋势,而其它类型的点缺陷对则有向基体扩散的趋势。

","authors":[{"authorName":"陶辉锦","id":"6e7cd3b5-6bda-46cc-be46-fb59a0160436","originalAuthorName":"陶辉锦"},{"authorName":"周珊","id":"94c01c67-94b2-4364-afb4-1108b060ae82","originalAuthorName":"周珊"},{"authorName":"刘宇","id":"812a6b3d-705d-43b8-899b-6bd0870b0ace","originalAuthorName":"刘宇"},{"authorName":"尹健","id":"ef1e55cf-a5b4-4df9-8dda-0c8e233a6f51","originalAuthorName":"尹健"},{"authorName":"许昊","id":"2b76ac94-8ddc-4f38-9348-1c1e7d8140b4","originalAuthorName":"许昊"}],"categoryName":"Orginal Article","doi":"10.11900/0412.1961.2016.00464","fpage":"751","id":"8f5f5c51-72f6-4b55-8f53-91fc4c81bd1f","issue":"6","journal":{"abbrevTitle":"JSXB","coverImgSrc":"journal/img/cover/JSXB.jpg","id":"48","issnPpub":"0412-1961","publisherId":"JSXB","title":"金属学报"},"keywords":[{"id":"64c38940-8b6f-423f-aea3-69cf3e8fe7c2","keyword":"Ti3Al","originalKeyword":"Ti3Al"},{"id":"49101275-43fa-4593-9273-e742cbb4c2ef","keyword":"点缺陷","originalKeyword":"点缺陷"},{"id":"e1473299-25f0-4632-9541-25d6e247b44b","keyword":"形成焓","originalKeyword":"形成焓"},{"id":"1a1e90d0-a66c-482f-a70c-29cbd09891dd","keyword":"第一性原理","originalKeyword":"第一性原理"},{"id":"4129be10-b7ad-4feb-81b9-5556ee4a3ed5","keyword":"Wagner-Schottky模型","originalKeyword":"Wagner-Schottky模型"}],"language":"zh","publisherId":"C20160464","title":"D019-Ti3Al中点缺陷浓度与相互作用的第一性原理研究","volume":"53","year":"2017"},{"abstractinfo":"采用Wagner-Schottky点缺陷热力学模型和第一性原理平面波赝势方法,计算研究了D019-Ti3Al金属间化合物中空位和反位2种类型点缺陷的形成焓、平衡浓度及相互作用.结果表明,这些缺陷的平衡浓度均随温度升高而增大,反位缺陷浓度均高于空位缺陷,Ti原子空位的浓度高于Al原子空位.在理想化学计量比成分下,Ti原子反位与Al原子反位缺陷浓度基本相当;在略偏离计量比的富Ti成分端,Ti原子的反位缺陷浓度高于Al原子;在富Al成分端则情形相反.计算结果表明,3种点缺陷对(AlTi-TiAl、TiAl-TiAl、VAl-AlTi)在基体中具有较强的聚集趋势,而其它类型的点缺陷对则有向基体扩散的趋势.","authors":[{"authorName":"陶辉锦","id":"08b980d5-cfba-4738-a52b-f33a2bc8eed3","originalAuthorName":"陶辉锦"},{"authorName":"周珊","id":"3cff56e4-5bc0-46ee-a4e6-e29d260ed970","originalAuthorName":"周珊"},{"authorName":"刘宇","id":"1300bca4-2190-46db-ade2-6783cbca450f","originalAuthorName":"刘宇"},{"authorName":"尹健","id":"bcdbae40-558b-40c2-b286-1b42a48aba06","originalAuthorName":"尹健"},{"authorName":"许昊","id":"dc9a4bd6-a687-4654-901b-78b210ca6d4e","originalAuthorName":"许昊"}],"doi":"10.11900/0412.1961.2016.00464","fpage":"751","id":"4182cb82-eaa2-4194-bb9d-907de51efbd4","issue":"6","journal":{"abbrevTitle":"JSXB","coverImgSrc":"journal/img/cover/JSXB.jpg","id":"48","issnPpub":"0412-1961","publisherId":"JSXB","title":"金属学报"},"keywords":[{"id":"4621e6e5-be07-45f1-b855-363c9c407a96","keyword":"Ti3Al","originalKeyword":"Ti3Al"},{"id":"1260b0a1-3239-4eeb-ab36-6da1c562959c","keyword":"点缺陷","originalKeyword":"点缺陷"},{"id":"4c3402ac-10a3-44cd-a185-0e1c30cf9263","keyword":"形成焓","originalKeyword":"形成焓"},{"id":"9aa75a28-0e70-4a9b-b33a-e5e0f38de91b","keyword":"第一性原理","originalKeyword":"第一性原理"},{"id":"7de98dd7-b928-4527-804c-9da87cfa5ae2","keyword":"Wagner-Schottky模型","originalKeyword":"Wagner-Schottky模型"}],"language":"zh","publisherId":"jsxb201706014","title":"D019-Ti3Al中点缺陷浓度与相互作用的第一性原理研究","volume":"53","year":"2017"}],"totalpage":3640,"totalrecord":36392}