Results 101 to 110 of about 716,340 (266)
Statistical Thermodynamics and Stochastic Kinetics
, 2011 Presenting the key principles of thermodynamics from a microscopic point of view, this book provides engineers with the knowledge they need to apply thermodynamics and solve engineering challenges at the molecular level.
Yiannis N. Kaznessis
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Engineering of Crystal and Domain Structures in Epitaxial Y:HfO2 Thin Films by YSZ Substrate Miscut
Advanced Science, EarlyView.We investigate how YSZ substrate miscut influences crystal structure and domain formation in epitaxial Y‐doped HfO2 thin films. Using magnetron sputtering, high‐resolution X‐ray diffraction, atomic‐resolution scanning transmission electron microscopy, and first‐principles calculations, we systematically examine the characteristics of thickness‐ and ...
Jun Young Lee +12 more
wiley +1 more source
Stochastic Thermodynamic Interpretation of Information Geometry [PDF]
Physical Review Letters, 2018 13 pages, 3 ...
openaire +3 more sources
, 2011 It is often claimed, or hoped, that some temporal asymmetries are explained by the thermodynamic asymmetry in time. Thermodynamics, the macroscopic physics of pressure, temperature, volume, and so on, describes many temporally asymmetric processes.
Jill North, North, Jill
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Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks
Advanced Science, EarlyView.A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu +5 more
wiley +1 more source
Stochastic thermodynamics under coarse graining [PDF]
Physical Review E, 2012 A general formulation of stochastic thermodynamics is presented for open systems exchanging energy and particles with multiple reservoirs. By introducing a partition in terms of "macrostates" (e.g. sets of "microstates"), the consequence on the thermodynamic description of the system is studied in detail.
openaire +3 more sources
Flexoelectricity in Photoconversion: Fundamentals, Materials, and Outlooks
Advanced Science, EarlyView.Mechanical bending of a flexible cantilever induces a strain gradient in the photoactive material. The resulting flexoelectric field couples with photovoltaic and photoconductive effects, modulating charge generation, separation, and collection. A comparative analysis of oxide perovskites, halide perovskites, and two‐dimensional materials is presented,
Xiang Huang, Feng Li, Rongkun Zheng
wiley +1 more source
Thermodynamics Beyond Molecules: Statistical Thermodynamics of Probability Distributions
Entropy, 2019 Statistical thermodynamics has a universal appeal that extends beyond molecular systems, and yet, as its tools are being transplanted to fields outside physics, the fundamental question, what is thermodynamics, has remained unanswered.
Themis Matsoukas
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Advanced Science, EarlyView.A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
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Nonequilibrium Thermodynamics in Biology: From Molecular Motors to Metabolic Pathways [PDF]
, 2018 Biological systems need to exchange energy and matter with their environment in order to stay functional or “alive”. This exchange has to obey the laws of thermodynamics: energy cannot be created and exchange comes at the cost of dissipation, which ...
WACHTEL, Artur
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