Results 41 to 50 of about 52,686 (280)
Grand canonical ensemble in generalized thermostatistics
, 2008 We study the grand-canonical ensemble with a fluctuating number of degrees of freedom in the context of generalized thermostatistics. Several choices of grand-canonical entropy functional are considered.
Callen H B +14 more
core +1 more source
Royal Society Open Science, 2022 The postmortem interval (PMI), i.e. the time since death, plays a key role in forensic investigations, as it aids in the reconstruction of the timeline of events. Currently, the standard method for PMI estimation empirically correlates rectal temperatures and PMIs, frequently necessitating subjective correction factors.
Leah S. Wilk +2 more
openaire +4 more sources
International Journal for Simulation and Multidisciplinary Design Optimization, 2015 The geometric structural optimization, electronic band structure, total density of states for valence electrons, density of states for phonons, optical, dynamical, and thermodynamical features of cesium chloride have been investigated by linearized ...
Bingol Suat +2 more
doaj +1 more source
Frontiers in Energy Research, 2020 The suitability of organic Rankine cycle (ORC) technology for the conversion of low- and medium-grade heat sources to useful power has established this as a promising option in geothermal power-generation applications.
Jian Song +3 more
doaj +1 more source
Metric tensor as the dynamical variable for variable cell-shape molecular dynamics
, 1997 We propose a new variable cell-shape molecular dynamics algorithm where the dynamical variables associated with the cell are the six independent dot products between the vectors defining the cell instead of the nine cartesian components of those vectors.
C. L. Cleveland +26 more
core +1 more source
Electroactive Metal–Organic Frameworks for Electrocatalysis
Advanced Functional Materials, EarlyView.Electrocatalysis is crucial in sustainable energy conversion as it enables efficient chemical transformations. The review discusses how metal–organic frameworks can revolutionize this field by offering tailorable structures and active site tunability, enabling efficient and selective electrocatalytic processes.
Irena Senkovska +7 more
wiley +1 more source
Entropy: The Markov Ordering Approach
, 2013 The focus of this article is on entropy and Markov processes. We study the properties of functionals which are invariant with respect to monotonic transformations and analyze two invariant "additivity" properties: (i) existence of a monotonic ...
Aczel +35 more
core +1 more source
Role of Histidine‐Containing Peptoids in Accelerating the Kinetics of Calcite Growth
Advanced Functional Materials, EarlyView.Amphiphilic histidine‐containing peptoids mimic carbonic anhydrase (CA) to accelerate calcite step growth. In the presence of Zn2+, they promote the deprotonation of HCO3−, the desolvation of Ca2+, and the reorganization of interfacial hydration layers, thereby reducing the activation barrier for calcite growth.
Mingyi Zhang +5 more
wiley +1 more source
A first--order irreversible thermodynamic approach to a simple energy converter
, 2007 Several authors have shown that dissipative thermal cycle models based on Finite-Time Thermodynamics exhibit loop-shaped curves of power output versus efficiency, such as it occurs with actual dissipative thermal engines.
A. L. Lehninger +16 more
core +1 more source
Advanced Functional Materials, EarlyView.Permanent magnets derive their extraordinary strength from deep, universal electronic‐structure principles that control magnetization, anisotropy, and intrinsic performance. This work uncovers those governing rules, examines modern modeling and AI‐driven discovery methods, identifies critical bottlenecks, and reveals electronic fingerprints shared ...
Prashant Singh
wiley +1 more source