TY - JOUR A1 - Heide, K. A1 - Nolze, Gert A1 - Völksch, G. A1 - Heide, G. T1 - Boracite Mg3[B7O13Cl] from the Zechstein salt deposits N2 - Among the borates in the Middle European Zechstein Salt Succession boracite Mg3[B7O13Cl] is the most common mineral in quantity and local distribution. An exceptional enrichment is observed in Stassfurt Serie Z2) in the Stassfurth seam K2H. Boracite is to be found in two varieties: individual crystals in cubic, tetrahedral or dodecahedral habit on the one hand and fibrous crystals so-called “stassfurtite” on the other hand. The formation conditions such widely spread borates in the salt succession are ambiguous in two respects. First of all the synthetic formation of boracites is to be made by hydrothermal or melt conditions. Both processes can be suspended for the salt succession. Furthermore the cubic modification is stable above 265°C for the Mg-boracite. The cubic, tetrahedral or dodecahedral habit could be used as a geothermometer, but such conditions can be exclude by the paragenetic minerals, esp. carnallite (MgKCl3 x 6H2O). The chemical composition of orthorhombic, pseudo-cubic boracite depends on the location. Pure Mg-boracite in hexahedral habit and in fibrous habit, so-called “stassfurtite”, occurs in the North Harz region, whereas the Fe-, Mn-, Mg-boracite appears in the South Harz region. Until now the source of boron, the time of formation of crystals, but also the reasons for the differences in habit of the single hexahedral crystals are still unclear. The formation during a diagenetic/metamorphic process is evident. However, the preferred formation in Stassfurt seam could be an indication for the boron enrichment in an early diagenetic process. Furthermore permit the determination of the thermal stability and the volatile content of crystals conclusions to the chemical composition of the fluid. The observed variation suggests that the condition of crystal growth as well as the chemical composition of fluid repeatedly changed over the time. Randomly occuring xenomorpheous anhydrite and magnesite inclusions within single boracite crystals have been interpreted as an indication to factors of chemical milieu during the formation of crystals. The reversible phase transition temperature of the boracite is a linearly function of the iron and manganese content and varies from 265°C for Mg-boracite to 330°C for Fe(Mn)-boracite. The thermal decomposition of boracite is determined by two processes. The decomposition started with a boron-chlorine release (BOCl?), having a maximum rate at 1050°C. Additionally to this release one observes a simultaneous emission of H2O, HCl, HF, CO2 , N2 , SO2 , H2 , and hydro carbons. The results give evidence for the aged approach of a secondary formation of boracite within the complete Stassfurt seam, possibly in connection with the formation of salt diapirs in the Jura and Cretaceous period. The wider environmental distribution of borates is an indication of chemical transport processes within the salt succession. This should be a more important issue in the discussion about the utilisation of salt diapirs for the storage of nuclear waste. KW - Borate KW - Boracite KW - Thermal behaviour KW - Electron backscatter diffraction KW - Energy-dispersive x-ray spectroscopy PY - 2013 DO - https://doi.org/10.1524/zkri.2013.1633 VL - 228 SP - 467 EP - 475 PB - Oldenbourg Wissenschaftsverlag, München AN - OPUS4-37982 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Nolze, Gert A1 - Payton, E. A1 - Winkelmann, Aimo T1 - Advanced EBSD Pattern Interpretation through Iterative Post-Processing N2 - Since the BSE signal depends on many factors, like the chemistry of the phase and the acceleration voltage, the size and position of the detector array is (slightly) different from phase to phase so that an (iterative) post-processing of the stored patterns is highly recommended. The derived BSE signal can be used for phase assignment in high resolution and high speed maps when EBSD fails and/or EDS (energy dispersive spectroscopy) needs too much time for a suitable and parallel signal acquisition. KW - Electron backscatter diffraction KW - Phase identification KW - Microstructure KW - SEM PY - 2013 DO - https://doi.org/10.1017/S1431927613005631 VL - 19 IS - Suppl. 2 SP - 728 EP - 729 AN - OPUS4-37986 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Nolze, Gert T1 - Combination of colored patterns and cubes for crystallographic point group visualization N2 - A concept based on the application of a cube as a general polyhedron is presented for the visualization of point group symmetry. The cube is used to represent both the highest and lowest crystal symmetries, with differences observable as patterns characteristic to each point group. Patterns are generated using direction-specific color keys, which enable the recognition of point group-specific distribution of vectors in an external reference frame. For the visualization of the incoherent hexagonal crystal classes, two twinned cubes are applied in order to generate symmetry operators that would otherwise be missing. The resulting hexagonal dipyramid is described in the frame of a cube, reducing the number of used symmetry operators from 72 to 60. The complete set of 32 polyhedra are suitable, for example, as a visual aid for understanding the crystal symmetry and/or sub- and supergroup relationships. KW - Subgroup KW - Crystal class KW - Color key KW - Fundamental zone KW - Teaching PY - 2013 DO - https://doi.org/10.1002/crat.201300134 VL - 48 IS - 7 SP - 476 EP - 489 PB - WILEY-VCH AN - OPUS4-37988 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Nolze, Gert T1 - Azimuthal Projections: Data Rotation and Projection Switching in Real Time N2 - Pole figures are often used to present crystal orientation data. The huge number of single orientation measurements acquired by electron backscatter diffraction (EBSD) poses a challenge for pole figure representation due to the large number of calculations required. This significantly reduces the speed at which the data may be rotated and affects the ability to switch between different projection types. In the present work, it will be shown that satisfactory representation of orientation data in different projection types can generally be achieved by an imaging of a spherical projection. With this approach, explicit calculation of the projections is no longer required, allowing for both real-time dataset rotation and real-time switching between all projection types relevant to materials science. The technique can be applied to any other directional property distribution, for example, not only for EBSD orientation presentation. KW - Stereographic projection KW - Equal area projection KW - Gnomonic projection KW - Azimuthal projection KW - Crystal orientation KW - Projection imaging KW - Coordinate transformation KW - Real-time rotation PY - 2013 DO - https://doi.org/10.1017/S1431927613001414 VL - 19 SP - 950 EP - 958 PB - Microscopy Society of America AN - OPUS4-37989 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Reith, F. A1 - Fairbrother, L. A1 - Nolze, Gert A1 - Wilhelmi, O. A1 - Clode, P. L. A1 - Gregg, A. O. A1 - Parsons, J. E. A1 - Wakelin, S. A. A1 - Pring, A. A1 - Hough, R. A1 - Southam, G. A1 - Brugger, J. T1 - Nanoparticle factories: Biofilms hold the key to gold dispersion and nugget formation N2 - Biofilms living on gold (Au) grains play a key role in the biogeochemical cycle of Au by promoting the dispersion of Au via the formation of Au nanoparticles as well as the formation of secondary biomorphic Au. Gold grains from Queensland, Australia, are covered by a polymorphic, organic-inorganic layer that is up to 40 μm thick. It consists of a bacterial biofilm containing Au nanoparticles associated with extracellular polymeric substances as well as bacterioform Au. Focused ion beam (FIB) sectioning through the biofilm revealed that aggregates of nanoparticulate Au line open spaces beneath the active biofilm layer. These aggregates (bacterioform Au type 1) resulted from the reprecipitation of dissolved Au, and their internal growth structures provide direct evidence for coarsening of the Au grains. At the contact between the polymorphic layer and the primary Au, bacterioform Au type 2 is present. It consists of solid rounded forms into which crystal boundaries of underlying primary Au extend, and is the result of dealloying and Ag dissolution from the primary Au. This study demonstrates that (1) microbially driven dissolution, precipitation, and aggregation lead to the formation of bacterioform Au and contribute to the growth of Au grains under supergene conditions, and (2) the microbially driven mobilization of coarse Au into nanoparticles plays a key role in mediating the mobility of Au in surface environments, because the release of nanoparticulate Au upon biofilm disintegration greatly enhances environmental mobility compared to Au complexes only. KW - Nanomaterial KW - Gold KW - Electron backscatter diffraction PY - 2010 DO - https://doi.org/10.1130/G31052.1 VL - 38 IS - 9 SP - 843 EP - 846 PB - Geological Society of America AN - OPUS4-37995 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Winkelmann, Aimo A1 - Nolze, Gert T1 - Channeling-enhanced EDX for polarity resolved crystal orientation determination N2 - Using channeling-enhanced energy-dispersive X-ray spectroscopy (EDX), we demonstrate polarity sensitive orientation determination of a non-centrosymmetric crystal in the scanning electron microscope. The authors observe a characteristic asymmetry in the channeling-enhanced, angle-dependent EDX data of a GaAs sample, which is in good agreement to simulations using the dynamical theory of diffraction for the incident electron beam. This allows us to assign the orientation of the GaAs crystal according to the non-centrosymmetric point group. The method shown here overcomes the limitation of a reduced point-group sensitivity of electron backscatter diffraction Patterns and electron channeling patterns for crystalline phases that contain atoms of approximately equal electron scattering cross sections. KW - Channeling KW - EDX KW - EDS KW - Composition KW - GaAs KW - GaP PY - 2016 DO - https://doi.org/10.1002/crat.201600258 SN - 0232-1300 SN - 0023-4753 VL - 51 IS - 12 SP - 752 EP - 756 AN - OPUS4-38098 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Nolze, Gert T1 - Interphase boundary characterization in duplex steel and iron meteorites using EBSD technique N2 - The properties of materials are mainly described by the orientation distribution of the crystalline phases in a material. Beside the so considered anisotropy also the grain as well as phase boundaries are of extreme importance for a whole string of properties, e.g. the strength of a material. On the example of the interface between fcc and bcc iron the discovered and derived models are discussed. Although the common models are based on the crystal lattice description, the atomic configuration on the interface is analysed. Since experimentally a wide spread of orientations data appears the consideration of the frequency distribution is proposed to find at least the main orientation relationship between fcc and bcc. High-indexed pole figures as well as the Euler subspace are introduced in order to increase the accuracy and to compare different measurements. For the sake of simplicity EBSD measurements on iron meteorites are used since they commonly consist of large fcc single crystals which transformed to a low and very specific number of bcc grains. In special cases the described procedure could also be used for steels. KW - Orientation relationships KW - Electron backscatter diffraction KW - Steel KW - Iron meteorites KW - Kurdjumov-Sachs KW - Nishiyama-Wassermann PY - 2006 SN - 1733-3490 SN - 0004-0770 SN - 0860-7052 VL - 51 IS - 1 SP - 15 EP - 22 AN - OPUS4-38030 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Glowacka, A. A1 - Wozniak, M. J. A1 - Nolze, Gert A1 - Swiatnicki, W. A. T1 - Hydrogen induced phase transformations in austenitic-ferritic steel N2 - The hydrogen influence on the microstructure of the austenitic-ferritic Cr22-Ni5-Mo3 stainless steel was investigated. Cathodic hydrogen charging was performed electrochemically from aqueous solution of 0.1M H2SO4 with hydrogen entry promoter addition. The aim of this study was to reveal microstructural changes appearing during the hydrogen charging and particularly to clarify the occurrence of phase transformations induced by hydrogen. The specific changes in both phases of steel were observed. In the ferritic phase, strong increase of dislocation density was noticed. Longer time of hydrogen charging leaded also to the strips and twin plates formation in ferrite phase. In the austenitic phase, the generation of stacking faults, followed by the formation of α' martensite was remarked. KW - Steel KW - Hydrogen KW - Embrittlement KW - Electron backscatter diffraction KW - SEM PY - 2006 DO - https://doi.org/10.4028/www.scientific.net/SSP.112.133 SN - 1662-9779 VL - 112 SP - 133 EP - 140 AN - OPUS4-38031 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Nolze, Gert A1 - Geist, V. T1 - A new method for the investigation of orientation relationships in meteoritic plessite N2 - The orientation relationship (OR) between the bcc and fcc phase in the plessite microstructure of the iron meteorites Watson, Agpalilik and Gibeon has been analysed in a scanning electron microscope using electron back-scattered diffraction (EBSD). A very strong OR exists, independently on the analysed plessite type and the observed spreading of single orientation data. The agreement between the experimental orientation distribution and existing models varies for each meteorite. The black plessite in the Agpalilik corresponds to the Nishiyama-Wassermann model whereas the Duplex plessite of the Gibeon meteorite shows an OR close to the Kurdjumov-Sachs model. The Watson meteorite is strongly deformed so that a general OR is difficult to determine due to the blurred experimental orientation distribution. KW - Meteorite KW - Orientation relationship KW - Steel KW - Electron backscatter diffraction KW - Kurdjumov-Sachs KW - Nishiyama-Wassermann PY - 2004 DO - https://doi.org/10.1002/crat.200310193 SN - 0023-4753 SN - 0232-1300 VL - 39 IS - 4 SP - 343 EP - 352 AN - OPUS4-38032 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kraus, Werner A1 - Nolze, Gert T1 - POWDER CELL-A Program for the representation and manipulation of crystal structure and calculation of the resulting X-ray powder pattern N2 - The main component of this program is a simultaneous representation of the unit cell and the calculated powder pattern. It allows the manipulation of the Crystal structure by moving selected atoms of the asymmetric unit. The resulting powder pattern can be directly compared to experimental data in order to obtain reliable starting values for further computations in refinement programs. KW - XRD KW - Simulation KW - PowderCell KW - Programming KW - Crystal structure KW - Refinement PY - 1996 SN - 0021-8898 VL - 29 SP - 301 EP - 303 AN - OPUS4-38033 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Nolze, Gert ED - Sen Gupta, S. P. ED - Chatterjee, P. T1 - PowderCell : a mixture between crystal structure visualizer, simulation and refinement tool N2 - The program PowderCell is a crystallographic tool for visualization of Crystal structures. However, it offers also non-conventional features like the fulautomatical generation of subgroups or the consideration of non-standard settings of space-group types. On the one Hand the program is very useful for non-crystallographers who like to get an impression of the atomic arrangement within the unit cell. But also for crystallographers it is recommendable because it contains a lot of additional information which can be extracted and used like data given in the International Tables for Crystallography, Vol. A. However, the most important advantage of the program is the simultaneous calculation of the X-ray or neutron diffraction powder patterns for a mixture of up to 10 crystalline phases. Between more than 7 different characteristic radiations can be chosen and their influence on the resulting powder pattern can be studied. Furthermore, experimental diffractograms can be analysed using a refinement procedure. The implemented LeBail-algorithm allows the investigation of unknown phases. In combination with the refinement algorithm an interface to Shelx offers the possibility for a step by step ab initio structure analysis. Certainly, the user-friendly shell is one reason that especially users who are not so familar with space-group symmetry, crystal structure data or diffractometry use this powerful tool for the solution of scientific or analytical problems as well as in teaching. KW - XRD KW - Simulation KW - Crystal structure KW - Neutron diffraction PY - 2002 SN - 8177642626 SN - 9788177642629 SP - 146 EP - 155 PB - Allied Publishers CY - Kolkata, India AN - OPUS4-38035 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -