Results 91 to 100 of about 89,813 (307)

Machine Learning Interatomic Potentials for Energy Materials: Architectures, Training Strategies, and Applications

Advanced Energy Materials, EarlyView.
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park, Saeed Pourasad, Jinhong Mun, Arunkumar Chitteth Rajan, Tae Hyeon Park, Anand Rohit, Mohammad Zafari, Tan‐Lien Pham, Eunjae Jung, Bonseung Koo, Miran Ha, Gi Beom Sim, Hyun Gyu Park, Won Woong Choi, Kwanghyeon Jo, Soohaeng Yoo Willow, David ChangMo Yang, Chang Woo Myung, Geunsik Lee, Kwang S. Kim   +19 more
wiley   +1 more source

SOC Mismatch–Driven Inter‐Particle Synchronization via Internal Li‐Ion Transfer: An Unrecognized Electrode‐Emergent Degradation Pathway in Ni‐Rich Composite Cathodes

Advanced Energy Materials, EarlyView.
Composite cathode degradation is not merely the sum of its particles. Kinetically mismatched populations develop state‐of‐charge differences that drive spontaneous internal Li‐ion transfer; the accompanying transient currents accelerate surface degradation.
Seheon Oh, Suyoung Kim, Inho Kim, Kangwoo Ahn, Min Wook Pin, Minkyu Kim   +5 more
wiley   +1 more source

Farmers' Preferences for Gene Editing Crops and Influencing Factors

Applied Economic Perspectives and Policy, EarlyView.
ABSTRACT Gene editing (GE) is gaining momentum worldwide, but limited data on UK farmers' preferences hinders our understanding of its potential impact amid deregulation debates. Based on a survey of 200 English arable farmers, we employ a Latent Class Analysis and Multinomial Logit regressions to investigate current preferences for GE crops.
Bertolozzi‐Caredio Daniele, Vigani Mauro   +1 more
wiley   +1 more source

Maximin and Bayesian optimal designs for regression models [PDF]

For many problems of statistical inference in regression modelling, the Fisher information matrix depends on certain nuisance parameters which are unknown and which enter the model nonlinearly.
Dette, Holger, Imhof, Lorens A., Haines, Linda M.   +2 more
core  

Application of Newton’s polynomial interpolation scheme for variable order fractional derivative with power-law kernel

Scientific Reports
This paper, offers a new method for simulating variable-order fractional differential operators with numerous types of fractional derivatives, such as the Caputo derivative, the Caputo–Fabrizio derivative, the Atangana–Baleanu fractal and fractional ...
S Naveen, V Parthiban
doaj   +1 more source

Solid–liquid equilibria in the LiOH–ethanol–water system: Solubility measurements and thermodynamic modeling

AIChE Journal, EarlyView.
Abstract The demand for LiOH is driven by the growth of the electric vehicle industry. Evaporative crystallization of LiOH·H2O is energy intensive, whereas ethanol‐based antisolvent crystallization has emerged as a more sustainable alternative. From a process design perspective, the crystallization yield depends on the ethanol dosage, and thermodynamic
Xiaoqi Xu, Chentao He, Janet A. W. Elliott, Liuyin Xia   +3 more
wiley   +1 more source

A new drag and lift correlation for spherocylinders from fully resolved Immersed Boundary Method

AIChE Journal, EarlyView.
Abstract Many industrial processes deal with non‐spherical particles, e.g., mineral mining and biomass conversion. It is crucial to understand the particles' hydrodynamics to control and optimize these processes. To extend the current state‐of‐the‐art from arrays of spherical particles to spherocylindrical particles, we performed extensive particle ...
A. H. Huijgen, Y. Sterkenburgh, Y. Tang, N. G. Deen, M. W. Baltussen   +4 more
wiley   +1 more source

Real-Time, Local Spline Interpolation Schemes on Bounded Intervals [PDF]

, 2016
We develop a local polynomial spline interpolation scheme for arbitrary spline order on bounded intervals. Our method's local formulation, effective boundary considerations and optimal interpolation error rate make it particularly useful for real ...
Maria D Van Der Walt
core  

Fractal-fractional mathematical modeling of monkeypox disease and analysis of its Ulam–Hyers stability

Boundary Value Problems
This paper utilizes a mathematical model based on the Atangana–Baleanu fractal-fractional derivative to investigate different epidemiological aspects of monkeypox virus infection.
Tharmalingam Gunasekar, Shanmugam Manikandan, Salma Haque, Murgan Suba, Nabil Mlaiki   +4 more
doaj   +1 more source

Data‐Driven High‐Throughput Volume Fraction Estimation From X‐Ray Diffraction Patterns

Advanced Intelligent Discovery, EarlyView.
Long exposure times and the need for manual evaluation limit the use of X‐ray diffraction in high‐throughput applications. This study presents a data‐driven approach addressing both issues. HiVE (a method for High‐throughput Volume fraction Estimation) performs composition estimation for high‐noise XRD patterns produced using polychromatic emission ...
Hawo H. Höfer, André Orth, Robert Wang, Ben Breitung, Simon Schweidler, Jasmin Aghassi‐Hagmann, Markus Reischl   +6 more
wiley   +1 more source