Results 71 to 80 of about 5,255,743 (281)
First principles characterization of reversible martensitic transformations
, 2018 Reversible martensitic transformations (MTs) are the origin of many fascinating phenomena, including the famous shape memory effect. In this work, we present a fully ab initio procedure to characterize MTs in alloys and to assess their reversibility ...
Drautz, Ralf +3 more
core +1 more source
Circuit quantization from first principles
Physical Review ResearchSuperconducting circuit quantization conventionally starts from classical Euler-Lagrange circuit equations of motion. Invoking the correspondence principle yields a canonically quantized description of circuit dynamics over a bosonic Hilbert space.
Yun-Chih Liao +2 more
doaj +1 more source
CrystalsThe third-generation semiconductors have the characteristics of a large bandgap, a high breakdown electric field, a fast electron saturation rate, high-temperature resistance, corrosion resistance, and radiation resistance, making them the preferred core
Hang Zhou +3 more
doaj +1 more source
Calpain small subunit homodimerization is robust and calcium‐independent
FEBS Letters, EarlyView.Calpains dimerize via penta‐EF‐hand (PEF) domains. Using single‐molecule force spectroscopy, we measured the strength and kinetics of PEF–PEF homodimer binding. The interaction is robust, shows a transient conformational step before dissociation, and remains largely insensitive to Ca2+.
Nesha May O. Andoy +4 more
wiley +1 more source
Microscopic Process and Mechanism of Cerium Steam Oxidation
Yuanzineng kexue jishuCerium (Ce) is a highly significant rare earth element with diverse applications in magnets, phosphors, alloys, catalysis, and batteries. Currently, investigations into the oxidation of metallic cerium predominantly concentrate on environments involving ...
CHEN Jin1, YAO Yaohui1, HUANG Kun1, YANG Jianxun1, GANG Fayuan1, ZHOU Jin2, DING Youqian1, ZHANG Shengdong1
doaj +1 more source
FEBS Letters, EarlyView.Biomolecular condensates formed by fused in sarcoma (FUS) are dissolved by high ATP concentrations yet persist in cells. Using a reconstituted system, we demonstrate that valosin‐containing protein (VCP), an AAA+ ATPase, counteracts ATP‐driven dissolution of FUS condensates through its D2 ATPase activity.
Hitomi Kimura +2 more
wiley +1 more source
First-principles, atomistic thermodynamics for oxidation catalysis
, 2002 Present knowledge of the function of materials is largely based on studies (experimental and theoretical) that are performed at low temperatures and ultra-low pressures. However, the majority of everyday applications, like e.g.
C. H. F. Peden +6 more
core +1 more source
Molecular Oncology, EarlyView.Liquid biopsy enables minimally invasive, real‐time molecular profiling through analysis of circulating biomarkers in biological fluids. This Perspective highlights the importance of training pathologists through integrative educational programs, such as the European Masters in Molecular Pathology, to ensure effective and equitable implementation of ...
Marius Ilié +13 more
wiley +1 more source
Multiferroic BiFeO3-BiMnO3 Nanocheckerboard From First Principles
, 2010 We present a first principles study of an unusual heterostructure, an atomic-scale checkerboard of BiFeO3-BiMnO3, and compare its properties to the two bulk constituent materials, BiFeO3 and BiMnO3.
K. M. Rabe +4 more
core +1 more source
The first principles of the crystal structure and active sites of calcite
工程科学学报, 2017 The calcite structure and the adsorption of water molecules as well as water molecule clusters on it were investigated using the CASTEP module, Materials Studio 6.1 based on the first principles of the density functional theory (DFT).
WANG Jie +5 more
doaj +1 more source