Temperature- and moisture-dependent studies on alunogen and the crystal structure of meta-alunogen determined from laboratory powder diffraction data [0.03%]
基于实验室粉末衍射数据的碱式盐和亚碱式盐的温度及湿度依赖性研究
Volker Kahlenberg,Doris E Braun,Hannes Krüger et al.
Volker Kahlenberg et al.
Starting from a synthetic sample with composition Al2(SO4)3·16.6H2O, the high-temperature- and moisture-dependent behavior of alunogen has been unraveled by TGA measurements, in situ powder X-ray diffraction as well as by gravimetric moist...
Modeling defects and plasticity in MgSiO3 post-perovskite: Part 2-screw and edge [100] dislocations [0.03%]
MgSiO3后尖晶石结构中的缺陷和塑性：第2部分-[100]螺型和刃型位错建模
Alexandra M Goryaeva,Philippe Carrez,Patrick Cordier
Alexandra M Goryaeva
In this study, we propose a full atomistic study of [100] dislocations in MgSiO3 post-perovskite based on the pairwise potential parameterized by Oganov et al. (Phys Earth Planet Inter 122:277-288, 2000) for MgSiO3 perovskite. We model scre...
Modeling defects and plasticity in MgSiO3 post-perovskite: Part 1-generalized stacking faults [0.03%]
MgSiO3后钙钛矿中的缺陷和塑性行为：第1部分-广义孪晶界能模型
Alexandra M Goryaeva,Philippe Carrez,Patrick Cordier
Alexandra M Goryaeva
In this work, we examine the transferability of a pairwise potential model (derived for MgSiO3 perovskite) to accurately compute the excess energies of the generalized stacking faults (GSF, also called γ-surfaces) in MgSiO3 post-perovskite...
First-principles investigation of the lattice vibrations in the alkali feldspar solid solution [0.03%]
碱长石固溶体中晶格振动的第一性原理研究
Artur Benisek,Edgar Dachs,Michael Grodzicki
Artur Benisek
The heat capacities of Al, Si ordered alkali feldspars of different Na, K compositions were calculated using the density functional theory. The effect of the Na, K distribution, if random, ordered or clustered, on the resulting heat capacit...
Lattice strain across Na-K interdiffusion fronts in alkali feldspar: an electron back-scatter diffraction study [0.03%]
钠钾扩散带上的格子应变：电子背散射衍射研究
Anne-Kathrin Schäffer,Tom Jäpel,Stefan Zaefferer et al.
Anne-Kathrin Schäffer et al.
Cation exchange experiments between gem quality sanidine [Formula: see text] and KCl melt produced chemical alteration of alkali feldspar starting at the grain surface and propagating inwards by highly anisotropic Na-K interdiffusion on the...