Results 151 to 160 of about 177,235 (274)

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

Silicon‐Based Anodes for Sulfide Solid‐State Batteries: Failure Mechanisms and Multiscale Design Strategies

Advanced Energy Materials, EarlyView.
Silicon anodes in sulfide SSBs face coupled electrochemo‐mechanical failure by interface instability. This review examined recent advances and proposed mitigation strategies via material‐, electrode/interface‐, and cell‐level‐ engineering. We further evaluate scalable synthesis of sulfide SEs.
Murugesan Karuppaiah, JaeWook Seo, SeEun Park, Seung Hyeok Chu, Jung Kyoo Lee   +4 more
wiley   +1 more source

Oxidative Phosphorylation Does Not Violate the Second Law of Thermodynamics. [PDF]

J Phys Chem B
Silverstein TP.
europepmc   +1 more source

AI in chemical engineering: From promise to practice

AIChE Journal, EarlyView.
Abstract Artificial intelligence (AI) in chemical engineering has moved from promise to practice: physics‐aware (gray‐box) models are gaining traction, reinforcement learning complements model predictive control (MPC), and generative AI powers documentation, digitization, and safety workflows.
Jia Wei Chew, Ronnie Andersson, Thomas Bierweiler, Patrik Ryttestal, Torsten Wik   +4 more
wiley   +1 more source

Model‐based fault diagnosis and fault tolerant control in safety‐critical chemical reactors: An experimental study

AIChE Journal, EarlyView.
Abstract This study investigates a fault‐tolerant control (FTC) approach for continuous stirred‐tank reactors (CSTR), emphasizing the importance of timely interventions to ensure operational safety under fault conditions. A systematic methodology combining residual‐based fault estimation and Dynamic Safety Margin (DSM) monitoring is developed to guide ...
Pu Du, Ritu Ranjan, Benjamin Wilhite, Costas Kravaris   +3 more
wiley   +1 more source

Comment on Cimmelli, V.A. Interpretation of Second Law of Thermodynamics in Extended Procedures for the Exploitation of the Entropy Inequality: Korteweg Fluids and Strain-Gradient Elasticity as Examples. <i>Entropy</i> 2024, <i>26</i>, 293. [PDF]

Entropy (Basel)
Paolucci S.
europepmc   +1 more source

Quantum engine efficiency bound beyond the second law of thermodynamics. [PDF]

Nat Commun, 2018
Niedenzu W, Mukherjee V, Ghosh A, Kofman AG, Kurizki G.   +4 more
europepmc   +1 more source

From continuous to interruptible distillation: Flexible electric heating column architecture with fast start‐up

AIChE Journal, EarlyView.
Abstract Electrification of distillation offers a promising route to reducing scope‐1 emissions from one of the chemical industry's most energy‐intensive unit operations. However, conventional adiabatic columns are dynamically inflexible: Long, energy‐intensive start‐ups make shutdown and restart impractical under variable electricity prices and ...
Samuel Mercer, Michael Baldea
wiley   +1 more source

Can the second law of thermodynamics hold in cell cultures? [PDF]

Front Genet, 2015
Selvarajoo K.
europepmc   +1 more source

Challenges and enablers in fluidization technology

AIChE Journal, EarlyView.
Abstract Gas–solid fluidized beds provide excellent heat and mass transfer for high‐throughput operations from coating to catalytic conversion and underpin emerging low‐carbon technologies. Yet industrial reliability, scale‐up, and control lag scientific understanding, particularly as finer, stickier, and more variable feedstocks increasingly challenge
J. Ruud van Ommen, Jia Wei Chew
wiley   +1 more source