Forthcoming article in Acta Crystallographica Section A Foundations and Advances
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Acta Crystallographica Section A: Foundations and Advances covers theoretical and fundamental aspects of the structure of matter. The journal is the prime forum for research in diffraction physics and the theory of crystallographic structure determination by diffraction methods using X-rays, neutrons and electrons. The structures include periodic and aperiodic crystals, and non-periodic disordered materials, and the corresponding Bragg, satellite and diffuse scattering, thermal motion and symmetry aspects. Spatial resolutions range from the subatomic domain in charge-density studies to nanodimensional imperfections such as dislocations and twin walls. The chemistry encompasses metals, alloys, and inorganic, organic and biological materials. Structure prediction and properties such as the theory of phase transformations are also covered.en-gbCopyright (c) 2017 International Union of CrystallographyInternational Union of CrystallographyInternational Union of Crystallographyhttp://journals.iucr.orgurn:issn:0108-7673Acta Crystallographica Section A: Foundations and Advances covers theoretical and fundamental aspects of the structure of matter. The journal is the prime forum for research in diffraction physics and the theory of crystallographic structure determination by diffraction methods using X-rays, neutrons and electrons. The structures include periodic and aperiodic crystals, and non-periodic disordered materials, and the corresponding Bragg, satellite and diffuse scattering, thermal motion and symmetry aspects. Spatial resolutions range from the subatomic domain in charge-density studies to nanodimensional imperfections such as dislocations and twin walls. The chemistry encompasses metals, alloys, and inorganic, organic and biological materials. Structure prediction and properties such as the theory of phase transformations are also covered.text/htmlActa Crystallographica Section A Foundations and Advancestextdaily12002-01-01T00:00+00:00med@iucr.orgActa Crystallographica Section A Foundations and AdvancesCopyright (c) 2017 International Union of Crystallographyurn:issn:0108-7673Forthcoming article in Acta Crystallographica Section A Foundations and Advanceshttp://journals.iucr.org/logos/rss10a.gif
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Still imageEdge 2-transitive trinodal polyhedra and 2-periodic tilings
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All trinodal, edge-2-transitive polyhedra and 2-periodic tilings are described.Copyright (c) 2017 International Union of Crystallographyurn:issn:2053-2733Olaf Delgado-Friedrichs et al.doi:International Union of CrystallographyAll trinodal, edge-2-transitive polyhedra and 2-periodic tilings are described.enNETS; TILINGS; MINIMAL TRANSITIVITYAll trinodal, edge-2-transitive polyhedra and 2-periodic tilings are described.text/htmlEdge 2-transitive trinodal polyhedra and 2-periodic tilingstextA projection-based reformulation of the coincident site lattice Σ for arbitrary bicrystals at finite temperature
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A continuous-valued formulation of the coincident site lattice Σ is developed based on the L2 inner product, taking into account temperature and arbitrary lattice rotation. Results are computed for face-centered-cubic tilt bicrystals and shown either to converge to the integer-valued Σ or to diverge to infinity.Copyright (c) 2017 International Union of Crystallographyurn:issn:2053-2733B. Runnelsdoi:10.1107/S205327331700122XInternational Union of CrystallographyA continuous-valued formulation of the coincident site lattice Σ is developed based on the L2 inner product, taking into account temperature and arbitrary lattice rotation. Results are computed for face-centered-cubic tilt bicrystals and shown either to converge to the integer-valued Σ or to diverge to infinity.enGRAIN BOUNDARIES; COINCIDENT SITE LATTICEA continuous-valued formulation of the coincident site lattice Σ is developed based on the L2 inner product, taking into account temperature and arbitrary lattice rotation. Results are computed for face-centered-cubic tilt bicrystals and shown either to converge to the integer-valued Σ or to diverge to infinity.text/htmlA projection-based reformulation of the coincident site lattice Σ for arbitrary bicrystals at finite temperaturetextNon-crystallographic symmetry of liquid metal, flat crystallographic faults and polymorph transformation of the M7C3 carbide
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To achieve a deep consideration and understanding of `in-depth treatments of microstructure - property relationships' the composition of microstructure classification having a mathematical foundation is especially important. Any one of 230 space groups describes a single infinite homogeneous defect-free crystal. That group cannot map the symmetry of microstructure which is determined by size and shape of finite crystal, a fragmentation of this crystal onto blocks, concretion of several crystals, and so on. For that, it is necessary the more general symmetry constructions, in our case these are constructions of projective geometry. In the present paper we made an attempt to formulate the mathematical symmetry (but not speculative) description of transformations of crystals with complex structures.Copyright (c) 2017 International Union of Crystallographyurn:issn:2053-2733Alexander L. Talis et al.doi:International Union of CrystallographyTo achieve a deep consideration and understanding of `in-depth treatments of microstructure - property relationships' the composition of microstructure classification having a mathematical foundation is especially important. Any one of 230 space groups describes a single infinite homogeneous defect-free crystal. That group cannot map the symmetry of microstructure which is determined by size and shape of finite crystal, a fragmentation of this crystal onto blocks, concretion of several crystals, and so on. For that, it is necessary the more general symmetry constructions, in our case these are constructions of projective geometry. In the present paper we made an attempt to formulate the mathematical symmetry (but not speculative) description of transformations of crystals with complex structures.enCARBIDE M7C3; CARBIDE M23C6; CARBIDE TRANSFORMATIONS; PROJECTIVE GEOMETRY; FINITE PROJECTIVE GROUPS; DESARGUES CONFIGURATION; HEAT-RESISTANT FE-CR-NI-ALLOYS; PROJECTIVE GEOMETRY; FINITE PROJECTIVE GROUPS; CARBIDE TRANSFORMATIONS; DESARGUES CONFIGURATION; CARBIDE ; 7; 3To achieve a deep consideration and understanding of `in-depth treatments of microstructure - property relationships' the composition of microstructure classification having a mathematical foundation is especially important. Any one of 230 space groups describes a single infinite homogeneous defect-free crystal. That group cannot map the symmetry of microstructure which is determined by size and shape of finite crystal, a fragmentation of this crystal onto blocks, concretion of several crystals, and so on. For that, it is necessary the more general symmetry constructions, in our case these are constructions of projective geometry. In the present paper we made an attempt to formulate the mathematical symmetry (but not speculative) description of transformations of crystals with complex structures.text/htmlNon-crystallographic symmetry of liquid metal, flat crystallographic faults and polymorph transformation of the M7C3 carbidetextMonte Carlo simulation of an anharmonic Debye-Waller factor to the T^4 order
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Copyright (c) 2017 International Union of Crystallographyurn:issn:2053-2733Kun-lun Wang et al.doi:International Union of CrystallographyenX-RAY DIFFRACTION; DEBYE-WALLER FACTOR; TEMPERATURE MEASUREMENT; MOTE-CARLO SIMULATIONtext/htmlMonte Carlo simulation of an anharmonic Debye-Waller factor to the T^4 ordertextX-ray Diffraction for Materials Research: From Fundamentals to Applications. By Myeongkyu Lee. CRC Press, 2016. Hardback, Pp. 302. Price GBP 99. ISBN 9781771882989.
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Copyright (c) 2017 International Union of Crystallographyurn:issn:2053-2733Pierre Ferteydoi:International Union of CrystallographyenBOOK REVIEW; X-RAY DIFFRACTION; MATERIALS CHARACTERIZATIONtext/htmlX-ray Diffraction for Materials Research: From Fundamentals to Applications. By Myeongkyu Lee. CRC Press, 2016. Hardback, Pp. 302. Price GBP 99. ISBN 9781771882989.textThe phase problem for one-dimensional crystals
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The properties of the phase problem for a one-dimensional crystal and implications for imaging single, rod-like molecules are examined.Copyright (c) 2017 International Union of Crystallographyurn:issn:2053-2733Rick P. Millanedoi:10.1107/S2053273316020386International Union of CrystallographyThe properties of the phase problem for a one-dimensional crystal and implications for imaging single, rod-like molecules are examined.enPHASE PROBLEM; ONE-DIMENSIONAL CRYSTALS; XFELSThe properties of the phase problem for a one-dimensional crystal and implications for imaging single, rod-like molecules are examined.text/htmlThe phase problem for one-dimensional crystalstextA theoretical investigation of orientation relationships and transformation strains in steels
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A unified approach to derive transformation strains and orientation-relationship models in steels is presented. This unified approach is used to derive the Nishiyama–Wassermann, Kurdjumov–Sachs and other models, and extend them naturally to the situation of a tetragonal α′ phase.Copyright (c) 2017 International Union of Crystallographyurn:issn:2053-2733Koumatos and Muehlemanndoi:10.1107/S2053273316020350International Union of CrystallographyA unified approach to derive transformation strains and orientation-relationship models in steels is presented. This unified approach is used to derive the Nishiyama–Wassermann, Kurdjumov–Sachs and other models, and extend them naturally to the situation of a tetragonal α′ phase.enORIENTATION RELATIONSHIPS; NISHIYAMA-WASSERMANN; KURDJUMOV-SACHS; PITSCH; GRENINGER-TROIANO; BAIN; INVERSE GRENINGER-TROIANO; STEEL; RATIO OF TETRAGONALITY; TRANSFORMATION STRAINS; F.C.C. TO B.C.C. TRANSFORMATIONS; F.C.C. TO B.C.T. TRANSFORMATIONSA unified approach to derive transformation strains and orientation-relationship models in steels is presented. This unified approach is used to derive the Nishiyama–Wassermann, Kurdjumov–Sachs and other models, and extend them naturally to the situation of a tetragonal α′ phase.text/htmlA theoretical investigation of orientation relationships and transformation strains in steelstextB7 as a supergroup of crystal and quasicrystal symmetries
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The practical generation of all Bravais and quasicrystal symmetries from a finite group is described.Copyright (c) 2017 International Union of Crystallographyurn:issn:2053-2733Kazimierz Stróżdoi:10.1107/S2053273316019586International Union of CrystallographyThe practical generation of all Bravais and quasicrystal symmetries from a finite group is described.enCRYSTAL SYMMETRY; QUASICRYSTAL SYMMETRY; SUPERGROUPS; PROJECTION; EXTENDED BASESThe practical generation of all Bravais and quasicrystal symmetries from a finite group is described.text/htmlB7 as a supergroup of crystal and quasicrystal symmetriestextHyperbolic crystallography of two-periodic surfaces and associated structures
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The intrinsic, hyperbolic crystallography of the two-periodic, genus-two HCB and SQL surfaces is presented. All discrete groups containing the translations of the Euclidean embeddings of these surfaces are derived and examples of applications are given.Copyright (c) 2017 International Union of Crystallographyurn:issn:2053-2733Pedersen and Hydedoi:10.1107/S2053273316019112International Union of CrystallographyThe intrinsic, hyperbolic crystallography of the two-periodic, genus-two HCB and SQL surfaces is presented. All discrete groups containing the translations of the Euclidean embeddings of these surfaces are derived and examples of applications are given.enHYPERBOLIC GEOMETRY; HYPERBOLIC CRYSTALLOGRAPHY; CONSTANT MEAN CURVATURE SURFACESThe intrinsic, hyperbolic crystallography of the two-periodic, genus-two HCB and SQL surfaces is presented. All discrete groups containing the translations of the Euclidean embeddings of these surfaces are derived and examples of applications are given.text/htmlHyperbolic crystallography of two-periodic surfaces and associated structurestextDynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to l-alanine, naphthalene and xylitol
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The performance of a lattice-dynamical model refined against elastic Bragg scattering data is tested on l-alanine, naphthalene and xylitol.Copyright (c) 2017 International Union of Crystallographyurn:issn:2053-2733Hoser and Madsendoi:10.1107/S2053273316018994International Union of CrystallographyThe performance of a lattice-dynamical model refined against elastic Bragg scattering data is tested on l-alanine, naphthalene and xylitol.enLATTICE DYNAMICS; THERMODYNAMICS; REFINEMENT; BRAGG SCATTERINGThe performance of a lattice-dynamical model refined against elastic Bragg scattering data is tested on l-alanine, naphthalene and xylitol.text/htmlDynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to l-alanine, naphthalene and xylitoltextCrystallography: A Very Short Introduction. By A. M. Glazer. Oxford University Press, 2016. Pp. 168. Price GBP 7.99. ISBN 9780198717591.
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Copyright (c) 2017 International Union of Crystallographyurn:issn:2053-2733Claude Lecomtedoi:10.1107/S2053273316018829International Union of CrystallographyenBOOK REVIEW; CRYSTALLOGRAPHYtext/htmlCrystallography: A Very Short Introduction. By A. M. Glazer. Oxford University Press, 2016. Pp. 168. Price GBP 7.99. ISBN 9780198717591.textAsymmetry in serial femtosecond crystallography data
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Distribution analysis of intensity observations in serial femtosecond crystallography data processing helps to separate Bragg reflections from the background detector response.Copyright (c) 2017 International Union of Crystallographyurn:issn:2053-2733Amit Sharma et al.doi:10.1107/S2053273316018696International Union of CrystallographyDistribution analysis of intensity observations in serial femtosecond crystallography data processing helps to separate Bragg reflections from the background detector response.enEX-GAUSSIAN DISTRIBUTION; SERIAL FEMTOSECOND CRYSTALLOGRAPHY; BRAGG REFLECTIONS; SYSTEMATIC ABSENCES; INTENSITY DISTRIBUTIONDistribution analysis of intensity observations in serial femtosecond crystallography data processing helps to separate Bragg reflections from the background detector response.text/htmlAsymmetry in serial femtosecond crystallography datatext