Multicomponent diffusion in ionic crystals: theoretical model and application to combined tracer- and interdiffusion in alkali feldspar [0.03%]
离子晶体中的多组分扩散：理论模型以及在碱性长石的同位素和互扩散研究中的应用
E Petrishcheva,L Tiede,D Heuser et al.
E Petrishcheva et al.
We present a model for multicomponent diffusion in ionic crystals. The model accounts for vacancy-mediated diffusion on a sub-lattice and for diffusion due to binary exchange of different ionic species without involvement of vacancies on th...
Spinodal decomposition in alkali feldspar studied by atom probe tomography [0.03%]
碱长石中自旋oidal分解的原子探针层析成像研究
Elena Petrishcheva,Lisa Tiede,Kevin Schweinar et al.
Elena Petrishcheva et al.
We used atom probe tomography to complement electron microscopy for the investigation of spinodal decomposition in alkali feldspar. To this end, gem-quality alkali feldspar of intermediate composition with a mole fraction of a K = 0.43 of...
Variations of OH defects and chemical impurities in natural quartz within igneous bodies [0.03%]
岩浆体内天然石英中OH缺陷和化学杂质的变体
Alexander Potrafke,Karel Breiter,Thomas Ludwig et al.
Alexander Potrafke et al.
In this study, we present the first systematic dataset on natural variations of OH defect and trace element contents in quartz within igneous bodies. Samples were derived from bore holes of two plutonic bodies from the Krušné Hory/Erzgebi...
Excess enthalpy of mixing of mineral solid solutions derived from density-functional calculations [0.03%]
基于密度泛函计算的矿物固溶体混合焓熵估算
Artur Benisek,Edgar Dachs
Artur Benisek
Calculations using the density-functional theory (DFT) in combination with the single defect method were carried out to determine the heat of mixing behaviour of mineral solid solution phases. The accuracy of this method was tested on the h...
Modeling defects and plasticity in MgSiO3 post-perovskite: Part 3-Screw and edge [001] dislocations [0.03%]
六方MgSiO3后钙钛矿中[001]螺型和刃型位错结构与性质的第一性原理研究(Ⅲ)
Alexandra M Goryaeva,Philippe Carrez,Patrick Cordier
Alexandra M Goryaeva
In this study, we investigate the complex structure of [001] screw and edge dislocation cores in MgSiO3 post-perovskite at the atomic scale. Both [001] screw and edge dislocations exhibit spontaneous dissociation in (010) into two symmetric...
High-temperature ab initio calculations on FeSi and NiSi at conditions relevant to small planetary cores [0.03%]
与小行星核心相关的高温铁硅和镍硅从头算计算
E T H Wann,L Vočadlo,I G Wood
E T H Wann
The Fe-Ni-Si system is potentially a very important component of terrestrial planetary cores. However, at present, even the behaviour of the FeSi and NiSi end members is poorly understood, especially at low to moderate pressures-the data fo...
Clément Jakymiw,Lidunka Vočadlo,David P Dobson et al.
Clément Jakymiw et al.
ABF3 compounds have been found to make valuable low-pressure analogues for high-pressure silicate phases that are present in the Earth's deep interior and that may also occur in the interiors of exoplanets. The phase diagrams of two of thes...
E Petrishcheva,M Rieder,J Predan et al.
E Petrishcheva et al.
The chemically driven propagation of interacting parallel cracks in monoclinic alkali feldspar was studied experimentally. Single crystals of potassium-rich gem-quality sanidine were shifted towards more sodium-rich compositions by cation e...
Irradiation effects in monazite-(Ce) and zircon: Raman and photoluminescence study of Au-irradiated FIB foils [0.03%]
Au辐照飞秒激光悬浮微粒铣薄片中独居石和锆石的辐射效应：拉曼光谱及光致发光学研究
Lutz Nasdala,Shavkat Akhmadaliev,Andreas Artac et al.
Lutz Nasdala et al.
Lamellae of 1.5 µm thickness, prepared from well-crystallised monazite-(Ce) and zircon samples using the focused-ion-beam technique, were subjected to triple irradiation with 1 MeV Au+ ions (15.6% of the respective total fluence), 4 MeV Au...
Spectral and morphological characteristics of synthetic nanophase iron (oxyhydr)oxides [0.03%]
合成纳米铁( oxyhydr )氧化物的光谱和形貌特征研究
Elizabeth C Sklute,Srishti Kashyap,M Darby Dyar et al.
Elizabeth C Sklute et al.
Nanophase iron (oxyhydr)oxides are ubiquitous on Earth, globally distributed on Mars, and likely present on numerous other rocky solar system bodies. They are often structurally and, therefore, spectrally distinct from iron (oxyhydr)oxide b...