Results 151 to 160 of about 129,978 (318)

Bayesian Stochastic Inference and Statistical Reliability Modeling of Maxwell–Boltzmann Model Under Improved Progressive Censoring for Multidisciplinary Applications

Axioms
The Maxwell–Boltzmann (MB) distribution is important because it provides the statistical foundation for connecting microscopic particle motion to macroscopic gas properties by statistically describing molecular speeds and energies, making it essential ...
Heba S. Mohammed, Osama E. Abo-Kasem, Ahmed Elshahhat   +2 more
doaj   +1 more source

Prediction of Structural Stability of Layered Oxide Cathode Materials: Combination of Machine Learning and Ab Initio Thermodynamics

Advanced Energy Materials, EarlyView.
In this work, we developed a phase‐stability predictor by combining machine learning and ab initio thermodynamics approaches, and identified the key factors determining the favorable phase for a given composition. Specifically, a lower TM ionic potential, higher Na content, and higher mixing entropy favor the O3 phase.
Liang‐Ting Wu, Milica Zdravković, Dijana Milosavljević, Konstantin Köster, Olivier Guillon, Jyh‐Chiang Jiang, Payam Kaghazchi   +6 more
wiley   +1 more source

STUDY OF MOLECULAR CHARACTERISTICS OF THE PRODUCT OF ISOPRENE POLYMERIZATION ON A NEODYMIUM-CONTAINING CATALYTIC SYSTEM BASED ON MODELING BY THE MONTE-CARLO METHOD [PDF]

, 2020
Светлана Мустафина, Татьяна Анатольевна Михайлова, Eldar Miftakhov, Vladimir Mikhailov   +3 more
openalex   +1 more source

Comparative Insights and Overlooked Factors of Interphase Chemistry in Alkali Metal‐Ion Batteries

Advanced Energy Materials, EarlyView.
This review presents a comparative analysis of Li‐, Na‐, and K‐ion batteries, focusing on the critical role of electrode–electrolyte interphases. It especially highlights overlooked aspects such as SEI/CEI misconceptions, binder effects, and self‐discharge relevance, emphasizing the limitations of current understanding and offering strategies for ...
Changhee Lee, Zachary T. Gossage, Shinichi Kumakura, Shinichi Komaba   +3 more
wiley   +1 more source

KARL -- A Monte Carlo model for atomic and molecular processes in the tritium atmosphere of the KATRIN experiment [PDF]

J. Kellerer, F. Spanier, Spanier, Felix
openalex   +1 more source

A critical review of porous adsorbents for air separation: From fundamental insights to rational adsorbent design

AIChE Journal, EarlyView.
Abstract Air separation via selective adsorption using porous adsorbents offers energy‐efficient alternatives to cryogenic distillation for producing high‐purity O2 and N2. Adsorbent efficacy depends on balancing selectivity, durability, and performance consistency across varying conditions. This comprehensive review critically discusses the design and
Tianqi Wang, Daisong Chen, Tianyi Zhang, Boyu Zhang, Ruiqiang Wang, Zhengdong Liu, Mei Hong, Youssef Belmabkhout, Qinfen Gu, Jin Shang   +9 more
wiley   +1 more source

Investigation and comparative study of the quantum molecular descriptors derived from the theoretical modeling and Monte Carlo simulation of two new macromolecular polyepoxide architectures TGEEBA and HGEMDA

, 2018
Rachid Hsissou, F. Benhiba, Mohammed Hussein Rafeq Khudhair, Mohamed Berradi, A. Mahsoune, H. Oudda, Ahmed El Harfi, I.B. Obot, A. Zarrouk   +8 more
openalex   +1 more source

Design for flexibility: An adjustable robust optimization approach with decision‐dependent uncertainty

AIChE Journal, EarlyView.
ABSTRACT Flexibility is a crucial characteristic of industrial systems that face increasing volatilities and is therefore essential to ensure feasible operation under uncertainty. Flexibility is often closely tied to the design of a system, and careful consideration must be taken to understand the trade‐off between design cost and operational ...
Jnana Sai Jagana, Sreekanth Rajagopalan, Satyajith Amaran, Qi Zhang   +3 more
wiley   +1 more source

Designing Memristive Materials for Artificial Dynamic Intelligence

Advanced Intelligent Discovery, EarlyView.
Key characteristics required of memristors for realizing next‐generation computing, along with modeling approaches employed to analyze their underlying mechanisms. These modeling techniques span from the atomic scale to the array scale and cover temporal scales ranging from picoseconds to microseconds. Hardware architectures inspired by neural networks
Youngmin Kim, Ho Won Jang
wiley   +1 more source

Monte Carlo simulations of n-butane and n-octane adsorbed onto graphite and a molecular model of activated carbon [PDF]

, 2019
María Estefanía Farías Hermosilla, Néstor A. Pérez Chávez, Alberto G. Albesa   +2 more
openalex   +1 more source