Results 131 to 140 of about 26,385 (260)

Atomic Scale Control of Thermal Conductivity in LaMnO3/SrMnO3 Superlattices

Advanced Electronic Materials, EarlyView.
Interface‐dominated cross‐plane thermal transport in [(LaMnO3)m/(SrMnO3)n]10 superlattices can be controlled by the octahedral rotation/tilt angle φOOR of the MnO6 octahedra, which as well is controlled by the “m/n” ratio. ABSTRACT We report atomic scale structure and phonon thermal transport in (LaMnO3)m/(SrMnO3)n/SrTiO3(100) superlattices (LMO/SMO ...
H. Ulrichs, V. Roddatis, U. Roß, J. P. Bange, D. Meyer, S. Lopatin, V. Radisch, D. Metternich, I. V. Maznichenko, S. Ostanin, R. Egoavil, I. Lazić, V. Moshnyaga   +12 more
wiley   +1 more source

Degradation Pathways of Silicon‐Based Anodes in Lithium‐Ion Batteries

Advanced Energy Materials, EarlyView.
Silicon‐based anodes undergo degradation through five primary pathways: (1) mechanical and structural deterioration of the active material, (2) loss of electrode integrity and electrical contact, (3) mechanical instability of the solid electrolyte interphase (SEI), characterized by repetitive fracture and deformation, (4) chemical instability of the ...
Yoon Jeong Choi, Ji‐Youn Bae, Ga‐On Park, Seung‐Ho Yu   +3 more
wiley   +1 more source

The Spatial Distribution of Local Mobility in Folded Proteins. [PDF]

J Phys Chem B
Rackovsky S.
europepmc   +1 more source

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

Quantifying interleaflet coupling of phase behavior and observing anti-registered phases in asymmetric lipid bilayers. [PDF]

Biophys J
Kennison-Cook KB, Cooper AM, Heberle FA.
europepmc   +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

Twist-stacked black phosphorus for wide-spectral chiral photodetection. [PDF]

Nat Commun
Jiang H, An L, Chen X, Xu G, Zhang Y, Fu J, Dai X, Yang Y, He R, Wei X, Yu XL, Qiu CW, Gao W.   +12 more
europepmc   +1 more source

SigmaFormer: Augmenting transformer encoders with COSMO sigma profiles for pure component property prediction

AIChE Journal, EarlyView.
Abstract Transformer‐based molecular models pretrained on SMILES strings demonstrate strong performance in property prediction. However, these model often lack explicit integration of molecular surface charge distributions that govern intermolecular interactions such as hydrogen bonding and polarity.
Tae Hyun Kim, Silabrata Pahari, Joseph Sang‐Il Kwon   +2 more
wiley   +1 more source

Hydrodynamical pathways in the phase change of real fluids. [PDF]

Commun Phys
Gallo M, Occhioni F, Daniele R, Casciola CM.   +3 more
europepmc   +1 more source

Joule self‐heating enabled oxygen transport and coupled methane reactions in a La0.6Sr0.4Co0.2Fe0.8O3‐δ hollow fiber membrane reactor

AIChE Journal, EarlyView.
Abstract Mixed‐conducting ceramic hollow fiber membranes are a versatile platform for oxygen separation, value‐added chemical production, and oxy‐combustion. Because oxygen permeation is thermally activated, these systems typically rely on bulky, energy‐intensive furnaces that suffer from low efficiency and large thermal inertia.
Gang Wang, Hamed Abdolahimansoorkhani, Xingjian Xue   +2 more
wiley   +1 more source