Results 121 to 130 of about 90,630 (265)

BACH, a Bayesian Optimization Protocol for Accurate Coarse‐Grained Parameterization of Organic Liquids

Advanced Functional Materials, EarlyView.
We present a fully automated Bayesian optimization (BO) protocol for the parameterization of nonbonded interactions in coarse‐grain CG force fields (BACH). Using experimental thermophysical data, we apply the protocol to a broad range of liquids, spanning linear, branched, and unsaturated hydrocarbons, esters, triglycerides, and water.
Janak Prabhu, Akhil Pratap Singh, Pablo Campomanes, Stefano Vanni   +3 more
wiley   +1 more source

Initial-boundary value problem of plasma-charge model in the half space

Electronic Journal of Differential Equations
This article studies an initial-boundary value problem for the plasma-charge model in a half-space. We establish the existence of classical local solutions when the point charges are in motion, and the existence of classical global solutions when the ...
Jingpeng Wu, Min Zhu
doaj  

Simultaneous Numerical Determination of Two Time-dependent Coefficients in Second Order Parabolic Equation With Nonlocal Initial and Boundary Conditions. [PDF]

F1000Res
A J Al-Shatrah M, Sabah Hussein M.
europepmc   +1 more source

Engineering Strategies for Stable and Long‐Life Alkaline Zinc‐Based Flow Batteries

Advanced Functional Materials, EarlyView.
Alkaline zinc‐based flow batteries face persistent challenges from unstable zinc deposition, including dendrite growth, passivation, corrosion, and hydrogen evolution, which severely limit cycling stability. Current research addresses these issues through coordinated electrode structuring, electrolyte regulation, and membrane design to control zinc ...
Yuran Bai, Xiaoyu Huo, Xin Long, Enkang Fu, Xusong Gong, Lei Wei, Liang An   +6 more
wiley   +1 more source

Nonlinear seepage mechanical model and bifurcation analysis for fluid-solid coupling in fractured rock mass. [PDF]

Sci Rep
Zhengzheng C, Mengqi X, Tao R, Feng D, Zhenhua L, Wenqiang W.   +5 more
europepmc   +1 more source

Single‐ and Dual‐Atom Configurations in Atomically Dispersed Catalysts for Lithium–Sulfur Batteries

Advanced Functional Materials, EarlyView.
Single‐atom and dual‐atom‐based atomically dispersed catalysts (ADCs) effectively address the shuttle effect and sluggish redox kinetics in Li–S batteries. With nearly 100% atomic utilization and tunable coordination environments, ADCs enhance LiPSs adsorption, lower conversion barriers, and accelerate sulfur redox reactions.
Haoyang Xu, Zhenfeng Li, Yue Fei, Ali Mohammadi, Ge Li   +4 more
wiley   +1 more source

An Inverse Problem for a Fractional Space-Time Diffusion Equation with Fractional Boundary Condition. [PDF]

Entropy (Basel)
Brociek R, Wajda A, Napoli C, Capizzi G, Słota D.   +4 more
europepmc   +1 more source

Where Most Frameworks Degrade: Flexible Bimetallic Phosphonate Crystals as pH‐Universal Supercapacitor Electrodes

Advanced Functional Materials, EarlyView.
Plastically flexible single crystals of the bimetallic phosphonate framework [Cu(2,2′‐bpy)VO(O3PC6H5)2] combine mechanical adaptability with robust pseudocapacitive charge storage. The material delivers about 140 Fg−1 at pH 4 and pH 10 and remains stable across pH 2‐12, enabling energy storage under comparatively mild electrolyte conditions.
Tim Müller, Jean G. A. Ruthes, Biswajit Battacharya, Dorothee Silbernagl, Patrik Tholen, Aysenur Limon, Gülsüm Kinik, Christoph Janiak, Markus Suta, Franziska Emmerling, Volker Presser, Gündoğ Yücesan   +11 more
wiley   +1 more source

Stability analysis and numerical simulation of nonlocal extended epidemic models using positivity-preserving scheme. [PDF]

Sci Rep
Yousuf M, Alshakhoury N.
europepmc   +1 more source

Multi‐Scale Interface Engineering of MXenes for Multifunctional Sensory Systems

Advanced Functional Materials, EarlyView.
MXenes, as two‐dimensional transition metal carbides and nitrides, demonstrate remarkable capabilities for multifunctional sensing applications. This review systematically examines multi‐scale interface engineering approaches that enhance sensing performance, enable diverse detection functionalities, and improve system‐level compatibility in MXene ...
Jiaying Liao, Sin‐Yi Pang, Jianhua Hao
wiley   +1 more source