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Zeitschrift Fur Kristallographie最新文献

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RDF method application to phase analysis of X-ray amorphous products of gibbsite thermal activation RDF法在三水石热活化x射线非晶产物物相分析中的应用
Zeitschrift Fur Kristallographie Pub Date : 2007-11-01 DOI: 10.1524/ZKSU.2007.2007.SUPPL_26.279
K. I. Shefer, E. Moroz, L. Isupova, I. V. Kharina, Y. Tanashev
{"title":"RDF method application to phase analysis of X-ray amorphous products of gibbsite thermal activation","authors":"K. I. Shefer, E. Moroz, L. Isupova, I. V. Kharina, Y. Tanashev","doi":"10.1524/ZKSU.2007.2007.SUPPL_26.279","DOIUrl":"https://doi.org/10.1524/ZKSU.2007.2007.SUPPL_26.279","url":null,"abstract":"","PeriodicalId":23897,"journal":{"name":"Zeitschrift Fur Kristallographie","volume":"40 1","pages":"279-282"},"PeriodicalIF":0.0,"publicationDate":"2007-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76327060","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Predicted corner-sharing titanium silicates 预测共享角硅酸钛
Zeitschrift Fur Kristallographie Pub Date : 2007-11-01 DOI: 10.1524/ZKSU.2007.2007.SUPPL_26.203
A. L. Bail
{"title":"Predicted corner-sharing titanium silicates","authors":"A. L. Bail","doi":"10.1524/ZKSU.2007.2007.SUPPL_26.203","DOIUrl":"https://doi.org/10.1524/ZKSU.2007.2007.SUPPL_26.203","url":null,"abstract":"The prediction of mixed three-dimensional frameworks involving tetrahedra and octahedra sharing exclusively corners is undertaken by applying the Monte Carlo computer program GRINSP (Geometrically Restrained Inorganic Structure Prediction) to titanium silicates. More than 1000 models are selected and stored into the PCOD (Predicted Crystallography Open Database). A part of them is identified to real counterparts. The most porous hypothetical structures are presented. The final aim is to build a database of calculated powder diffraction patterns for identification by search-match procedures.","PeriodicalId":23897,"journal":{"name":"Zeitschrift Fur Kristallographie","volume":"1 1","pages":"203-208"},"PeriodicalIF":0.0,"publicationDate":"2007-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86853257","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 2
Time-resolved synchrotron X-ray powder diffraction study of biogenic nanomagnetite 生物源纳米磁铁矿的时间分辨同步x射线粉末衍射研究
Zeitschrift Fur Kristallographie Pub Date : 2007-11-01 DOI: 10.1524/ZKSU.2007.2007.SUPPL_26.423
A. Bell, V. Coker, C. Pearce, R. Pattrick, G. Laan, J. Lloyd
{"title":"Time-resolved synchrotron X-ray powder diffraction study of biogenic nanomagnetite","authors":"A. Bell, V. Coker, C. Pearce, R. Pattrick, G. Laan, J. Lloyd","doi":"10.1524/ZKSU.2007.2007.SUPPL_26.423","DOIUrl":"https://doi.org/10.1524/ZKSU.2007.2007.SUPPL_26.423","url":null,"abstract":"The bacterium Geobacter sulfurreducens can produce nanoparticulate magnetite (Fe3O4) by the reduction of amorphous Fe(III) oxyhydroxide coupled to the oxidation of organic matter in the anoxic subsurface as an alternative to oxygen respiration. G. sulfurreducens can transfer electrons to solid Fe(III)-bearing minerals through either direct contact between the cell and the mineral surface or by using an electron shuttling compound. High-resolution synchrotron X-ray powder diffraction has been used to study samples taken at different stages of this reaction. This shows that an initial amorphous phase first transforms to goethite (FeO(OH)), before undergoing a further transformation to magnetite. Magnetite is formed faster in the presence of the electron shuttling compound disodium anthraquinone 2,6 disulphonate.","PeriodicalId":23897,"journal":{"name":"Zeitschrift Fur Kristallographie","volume":"39 1","pages":"423-428"},"PeriodicalIF":0.0,"publicationDate":"2007-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76664108","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 5
Microstructure of energetic crystals – grain by grain via rocking curve 含能晶体的微观结构-通过摇摆曲线逐粒观察
Zeitschrift Fur Kristallographie Pub Date : 2007-11-01 DOI: 10.1524/ZKRI.2007.2007.SUPPL_26.557
M. Herrmann, P. B. Kempa, S. Doyle
{"title":"Microstructure of energetic crystals – grain by grain via rocking curve","authors":"M. Herrmann, P. B. Kempa, S. Doyle","doi":"10.1524/ZKRI.2007.2007.SUPPL_26.557","DOIUrl":"https://doi.org/10.1524/ZKRI.2007.2007.SUPPL_26.557","url":null,"abstract":"","PeriodicalId":23897,"journal":{"name":"Zeitschrift Fur Kristallographie","volume":"30 1","pages":"557-562"},"PeriodicalIF":0.0,"publicationDate":"2007-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75761191","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 6
In-situinvestigations of LiMn2O4at high pressure 高压下limn2o4的现场研究
Zeitschrift Fur Kristallographie Pub Date : 2007-11-01 DOI: 10.1524/ZKRI.2007.2007.SUPPL_26.387
P. Piszora
{"title":"In-situinvestigations of LiMn2O4at high pressure","authors":"P. Piszora","doi":"10.1524/ZKRI.2007.2007.SUPPL_26.387","DOIUrl":"https://doi.org/10.1524/ZKRI.2007.2007.SUPPL_26.387","url":null,"abstract":"","PeriodicalId":23897,"journal":{"name":"Zeitschrift Fur Kristallographie","volume":"15 1","pages":"387-392"},"PeriodicalIF":0.0,"publicationDate":"2007-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"79240035","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 7
Transition of nc-SiC powder surface into grain boundaries during sintering by molecular dynamics simulation and neutron powder diffraction 用分子动力学模拟和中子粉末衍射研究烧结过程中nc-SiC粉末表面向晶界的转变
Zeitschrift Fur Kristallographie Pub Date : 2007-11-01 DOI: 10.1524/ZKRI.2007.2007.SUPPL_26.255
Marcin Wojdyr, Yifei Mo, E. Grzanka, S. Stelmakh, S. Gierlotka, T. Proffen, T. W. Żerda, B. Palosz, I. Szlufarska
{"title":"Transition of nc-SiC powder surface into grain boundaries during sintering by molecular dynamics simulation and neutron powder diffraction","authors":"Marcin Wojdyr, Yifei Mo, E. Grzanka, S. Stelmakh, S. Gierlotka, T. Proffen, T. W. Żerda, B. Palosz, I. Szlufarska","doi":"10.1524/ZKRI.2007.2007.SUPPL_26.255","DOIUrl":"https://doi.org/10.1524/ZKRI.2007.2007.SUPPL_26.255","url":null,"abstract":"Abstract. We report a structural analysis of experimental nc-SiC ceramics with grain sizes ranging from 7 nm to 11 nm in diameter and computer generated samples of similar grain sizes. Pair Distribution Functions (PDFs) of real and virtual samples sintered under different pressures are compared. The standard size-strain methods are applied to the simulated mod-els and the results are discussed. Presented model is the first step toward atomistic under-standing of the processing-structure relations and atomic-level interpretation of diffraction patterns for nanoceramics. Introduction Silicon Carbide (SiC) based ceramics have many technological applications, which originate from their remarkable physical and chemical properties, e.g. high hardness, high melting temperature, light weight, and chemical stability. It is known that decreasing the grain size of polycrystalline ceramics to the nanometre regime can further improve their mechanical prop-erties [1-3]. For example, recent experiments on nanocrystalline (nc) SiC have demonstrated an increased hardness of this material [4]. Atomistic mechanisms underlying this so-called superhardness of nc-SiC have been revealed in recent computer simulations [5]. Despite of all the promising properties of nc-SiC, a detailed understanding of the processing – structure – property relations in this material is still lacking. X-ray and neutron diffractions are powerful and commonly used techniques for microstruc-ture characterization; however, analysis of diffraction patterns of nc materials presents addi-tional challenges. Due to an increased surface-to-volume ratio of nanoparticles, grain boundaries (GB) occupy a significant volume-fraction of the material and the coherently","PeriodicalId":23897,"journal":{"name":"Zeitschrift Fur Kristallographie","volume":"109 1","pages":"255-260"},"PeriodicalIF":0.0,"publicationDate":"2007-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73998256","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 5
Phase distribution of friction welded Ti6Al4V/γ-TAB Ti6Al4V/γ-TAB摩擦焊相分布
Zeitschrift Fur Kristallographie Pub Date : 2007-11-01 DOI: 10.1524/ZKSU.2007.2007.SUPPL_26.305
H. Brokmeier, Shifeng Jin, V. Ventzke, S. Riekehr, M. Koçak, J. Homeyer
{"title":"Phase distribution of friction welded Ti6Al4V/γ-TAB","authors":"H. Brokmeier, Shifeng Jin, V. Ventzke, S. Riekehr, M. Koçak, J. Homeyer","doi":"10.1524/ZKSU.2007.2007.SUPPL_26.305","DOIUrl":"https://doi.org/10.1524/ZKSU.2007.2007.SUPPL_26.305","url":null,"abstract":"","PeriodicalId":23897,"journal":{"name":"Zeitschrift Fur Kristallographie","volume":"55 1","pages":"305-310"},"PeriodicalIF":0.0,"publicationDate":"2007-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86883089","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Design of powder diffraction beamline (BL-I11) at Diamond 金刚石粉末衍射光束线(BL-I11)设计
Zeitschrift Fur Kristallographie Pub Date : 2007-11-01 DOI: 10.1524/ZKSU.2007.2007.SUPPL_26.153
C. Tang, S. P. Thompson, T. Hill, G. Wilkin, U. Wagner
{"title":"Design of powder diffraction beamline (BL-I11) at Diamond","authors":"C. Tang, S. P. Thompson, T. Hill, G. Wilkin, U. Wagner","doi":"10.1524/ZKSU.2007.2007.SUPPL_26.153","DOIUrl":"https://doi.org/10.1524/ZKSU.2007.2007.SUPPL_26.153","url":null,"abstract":"","PeriodicalId":23897,"journal":{"name":"Zeitschrift Fur Kristallographie","volume":"183 1","pages":"153-158"},"PeriodicalIF":0.0,"publicationDate":"2007-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85619696","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 22
The nature of special points on unit cell parameters temperature dependences for crystal substances 晶体物质在晶胞参数上特殊点的性质与温度的关系
Zeitschrift Fur Kristallographie Pub Date : 2007-11-01 DOI: 10.1524/ZKRI.2007.2007.SUPPL_26.447
S. Filatov, R. Bubnova
{"title":"The nature of special points on unit cell parameters temperature dependences for crystal substances","authors":"S. Filatov, R. Bubnova","doi":"10.1524/ZKRI.2007.2007.SUPPL_26.447","DOIUrl":"https://doi.org/10.1524/ZKRI.2007.2007.SUPPL_26.447","url":null,"abstract":"","PeriodicalId":23897,"journal":{"name":"Zeitschrift Fur Kristallographie","volume":"47 1","pages":"447-452"},"PeriodicalIF":0.0,"publicationDate":"2007-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87310443","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 9
Illite crystallinity: Instrumental effect and its relation to crystallite size and lattice distortion 伊利石结晶度:仪器效应及其与晶体尺寸和晶格畸变的关系
Zeitschrift Fur Kristallographie Pub Date : 2007-11-01 DOI: 10.1524/ZKRI.2007.2007.SUPPL_26.111
S. Shata
{"title":"Illite crystallinity: Instrumental effect and its relation to crystallite size and lattice distortion","authors":"S. Shata","doi":"10.1524/ZKRI.2007.2007.SUPPL_26.111","DOIUrl":"https://doi.org/10.1524/ZKRI.2007.2007.SUPPL_26.111","url":null,"abstract":"","PeriodicalId":23897,"journal":{"name":"Zeitschrift Fur Kristallographie","volume":"1 1","pages":"111-116"},"PeriodicalIF":0.0,"publicationDate":"2007-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80118506","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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