Results 61 to 70 of about 880,327 (230)
Crystallographic, electronic and vibrational properties of 2D silicate monolayers
Journal of Applied Crystallography, Volume 58, Issue 2, Page 349-362, April 2025.The present work reports a density functional theory investigation of the structural, electronic, Raman and infrared properties of the (001) monolayer of phlogopite [K(Mg,Fe)3Si3AlO10(OH)2, with Mg/Fe ratio ≥ 2] and how they change with different Fe2+/Mg2+ substitutions in the octahedral sheet.Phyllosilicates are promising materials for optoelectronic ...
Gianfranco Ulian, Giovanni Valdrè
wiley +1 more source
The role of crystallographic orientation of martensitic variants on cleavage crack propagation [PDF]
arXiv, 2016 Cleavage crack propagation has been investigated in a low-carbon lath-martensitic steel using electron back-scattered diffraction technique. The ability of different martensitic boundaries within prior-austenite grain, such as sub-block, block and packet boundaries to resist cleavage crack propagation has been estimated in terms of Kurdjumov-Sachs ...
arxiv
If you cannot see it, is it still there?
Journal of Applied Crystallography, Volume 58, Issue 2, Page 615-621, April 2025.Flexible segments of protein molecules, while known to be present in a structure, are often not visible in the electron density and are thus omitted in models. Ensemble refinement of completed models allows for visualization and exploration of the available conformation space of such `invisible' regions.
Lukas Leitner +3 more
wiley +1 more source
Reverse Engineering of Proteasomal Translocation Rates [PDF]
arXiv, 2008 We address the problem of proteasomal protein translocation and introduce a new stochastic model of the proteasomal digestion (cleavage) of proteins. In this model we account for the protein translocation and the positioning of cleavage sites of a proteasome from first principles.
arxiv
Computational Synthesis of Substrates by Crystal Cleavage [PDF]
arXiv, 2020 The discovery of novel substrate materials has been dominated by trial and error, opening the opportunity for a systematic search. To identify stable crystal surfaces, we generate bonding networks for materials from the Materials Project database with one to five atoms in the primitive unit cell.
arxiv
A Strategy for Teaching an Effective Undergraduate Mineralogy Course [PDF]
, 2004 An effective undergraduate mineralogy course provides students with a familiarity and understanding of minerals that is necessary for studying the Earth.
R. Swope, Reto Gieré
core +1 more source
Social progress at the expense of economic equality? New data on left parties' equality preferences
European Journal of Political Research, EarlyView.Abstract Have concerns about equal rights and equal chances crowded out economic equality as a priority of left parties? Despite the increased importance of inequality in political science, this contentiously fought debate has been standing on shaky empirical foundations.
ALEXANDER HORN +2 more
wiley +1 more source
Aging Cell, EarlyView.Amyloid‐β (Aβ) oligomers affect VDAC1 electrophysiology and the physiological metabolic cross‐talk between cytosol and mitochondria. The use of a small, synthetic VDAC1‐antagonist peptide, derived from hexokinase, restores mitochondrial functionality, and respiration in cellular models of Alzheimer's disease. ABSTRACT Mitochondrial dysfunction has been
Fabrizio Cavallaro +10 more
wiley +1 more source
An atomistic-to-continuum analysis of crystal cleavage in a two-dimensional model problem [PDF]
arXiv, 2011 A two-dimensional atomic mass spring system is investigated for critical fracture loads and its crack path geometry. We rigorously prove that, in the discrete-to-continuum limit, the minimal energy of a crystal under uniaxial tension leads to a universal cleavage law and energy minimizers are either homogeneous elastic deformations or configurations ...
arxiv
Geochronology (Re–Os and U–Pb) and fluid inclusion studies of molybdenite mineralisation associated with the Shap, Skiddaw and Weardale granites, UK [PDF]
, 2008 Late Devonian magmatism in Northern England records key events associated with the Acadian phase of the Caledonian-Appalachian Orogen (C-AO). Zircon U-Pb and molybdenite Re-Os geochronology date emplacement and mineralisation in the Shap (405·2±1·8 Ma ...
Conliffe, J. +3 more
core +1 more source