Results 71 to 80 of about 2,110 (237)

On Calculating Free Energy Differences Using Ensembles of Transition Paths

Frontiers in Molecular Biosciences, 2020
The free energy of a process is the fundamental quantity that determines its spontaneity or propensity at a given temperature. In particular, the binding free energy of a drug candidate to its biomolecular target is used as an objective quantity in drug ...
Robert Hall, Tom Dixon, Tom Dixon, Alex Dickson, Alex Dickson   +4 more
doaj   +1 more source

Research progress and current status of dynamic wave propagation characteristics in rock mass: A review

Deep Underground Science and Engineering, EarlyView.
This review elucidates the velocity–dispersion–attenuation coupling mechanisms of wave propagation in rock masses, compares six representative models, and reveals how pressure, temperature, mineral composition, and anisotropy jointly control dynamic responses in complex geological media.
Jiajun Shu, Tao Li, Ruiqi Yuan, Yue Li, Bingni Wu, Bo Liu, Zhengding Deng, Galindo Rubén, Fausto Molina‐Gómez   +8 more
wiley   +1 more source

AI‐Driven Precision Annealing for High Performance Fe‐Based Amorphous Alloys

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
The four stages of the research process are as follows: First, data is collected and a database is constructed. This is followed by feature selection and analysis, then the establishment of machine learning models, and finally formulation design and preparation.
Yichuan Tang, Shaopeng Liu, Silong Li, Ruonan Ma, Peinan Li, Zheng Wang, Kun Wang, Kaiyan Cao, Sidan Ding, Chao Zhou, Fanghua Tian, Sen Yang, Minxia Fang, Yin Zhang   +13 more
wiley   +1 more source

Performance limits of information engines

Advances in Physics: X
We review recent studies of a colloidal information engine that consists of a bead in water and held by an optical trap. The bead is ratcheted upward without any apparent external work, by taking advantage of favorable thermal fluctuations.
Johan du Buisson, David A. Sivak, John Bechhoefer   +2 more
doaj   +1 more source

Reduced Models of Point Vortex Systems

Entropy, 2018
Nonequilibrium statistical models of point vortex systems are constructed using an optimal closure method, and these models are employed to approximate the relaxation toward equilibrium of systems governed by the two-dimensional Euler equations, as well ...
Jonathan Maack, Bruce Turkington
doaj   +1 more source

Superstatistical approach to air pollution statistics

Physical Review Research, 2020
Air pollution by nitrogen oxides (NO_{x}) is a major concern in large cities as it has severe adverse health effects. However, the statistical properties of air pollutants are not fully understood.
Griffin Williams, Benjamin Schäfer, Christian Beck   +2 more
doaj   +1 more source

A Framework of Nonequilibrium Statistical Mechanics. I. Role and Types of Fluctuations [PDF]

, 2020
Hans Christian Öttinger, Mark A. Peletier, Alberto Montefusco   +2 more
openalex   +1 more source

Computationally Driven Advances in Cu‐CNT On‐Chip Interconnect Materials: From First Principles to Machine Learning

ENERGY &ENVIRONMENTAL MATERIALS, EarlyView.
A multiscale framework integrating electronic, mechanical, and thermal analysis with machine learning to optimize carbon nanotube interconnects. As the component dimensions in integrated circuits shrink to extreme scales, the complexity of interconnect systems is increasing significantly, necessitating an urgent and comprehensive upgrade of ...
Changhong Zhang, Jie Liang, Yi Li, Zhenyu Wang, Haoyuan Li, Zhen Yuan, Jiuren Zhou, Rongmei Chen, Wensheng Zhao, Lei Zhang, Hanshen Xin, Jianhua Zhang   +11 more
wiley   +1 more source

Fabrication of electrospun PVDF nanofibrous membrane for filtration of coconut inflorescence sap

Food Biomacromolecules, EarlyView.
Electrospinning conditions for polyvinylidene difluoride (PVDF) nanofibrous membrane were optimized. The polymer solution's properties were analyzed. The developed membranes' average pore size was 478–543 nm. A fabricated membrane was used for the filtration of coconut inflorescence sap.
Sarangapany Ashwin Kumar, Paramasivam Santhoshkumar, Jeyan Arthur Moses   +2 more
wiley   +1 more source

Electronic Correlation Effects in the Response of Graphene and MoS2 Monolayers to the Impact of Highly‐Charged Ions

physica status solidi (b), EarlyView.
The response of graphene and MoS2 monolayers to highly‐charged impinging ions is investigated using nonequilibrium Green functions theory. Electronic correlations are found to have a significantly stronger influence on the ultrafast ion‐induced electron dynamics in MoS2 than in graphene.
Giorgio Lovato, Michael Bonitz, Karsten Balzer, Fabio Caruso, Jan‐Philip Joost   +4 more
wiley   +1 more source