Results 181 to 190 of about 38,186 (255)

An exciting Approach to Theoretical Spectroscopy

Advanced Science, EarlyView.
ABSTRACT Theoretical spectroscopy, and more generally, electronic‐structure theory, are powerful concepts for describing the complex many‐body interactions in materials. They cover methods from ground‐state properties to lattice excitations and light‐matter interaction, including time‐resolved variants.
Martí Raya‐Moreno, Alexander Buccheri, Noah Alexy Dasch, Nasrin Farahani, Ignacio Gonzalez Oliva, Andris Gulans, Seokhyun Hong, Manoar Hossain, Hannah Kleine, Martin Kuban, Sven Lubeck, Benedikt Maurer, Pasquale Pavone, Fabian Peschel, Daria Popova‐Gorelova, Lu Qiao, Elias Richter, Santiago Rigamonti, Ronaldo Rodrigues Pela, Maximilian Schebek, Kshitij Sinha, Daniel T. Speckhard, Jan Stutz, Sebastian Tillack, Dmitry Tumakov, Jānis Užulis, Mara Voiculescu, Cecilia Vona, Mao Yang, Claudia Draxl   +29 more
wiley   +1 more source

Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics

Advanced Science, EarlyView.
Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai, Ri He, Junxian Liu, Liangzhi Kou   +3 more
wiley   +1 more source

Quantitative Assessment of SBS-Modifier Content in Bituminous Binders Using Infrared Spectroscopy. [PDF]

Polymers (Basel)
Ashimova S, Amirbayev Y, Zhumagulova A, Zhumamuratov M, Begaliyeva S, Baibolekova Z, Smagulova M.   +6 more
europepmc   +1 more source

A Review of Failure Modes and Safety Strategies of Lithium‐Ion Batteries from Materials to Systems

Advanced Science, EarlyView.
A cascade‐aware framework is presented for lithium‐ion battery safety, linking thermal runaway initiation, acceleration, runaway reaction, and propagation with material‐, cell/pack‐, and system‐level interventions. By integrating failure mechanisms, quantitative safety indicators, and staged interception strategies, this review highlights how safer ...
Jin Hyeok Yang, Jae Yoon Sung, Hyunji Kweon, Seohyun Kim, Byunghoon Kim, Jongsoon Kim, Junyoung Mun, Jung Ho Kim, Ki Jae Kim   +8 more
wiley   +1 more source

Physical, Rheological and Microstructural Properties of Asphalt Modified by Low-Molecular-Weight Polyolefin. [PDF]

Materials (Basel)
He J, Leng B, Chen M, Guo S, Yu J.
europepmc   +1 more source

A Versatile‐Designable Framework for Active and Programmable Shape‐Morphing Soft Matter Systems: From Inverse Design to Closed‐Loop Control

Advanced Science, EarlyView.
A versatile framework integrates addressable electrothermal actuation and strain‐constraint mechanisms to construct programmable shape‐morphing soft matter systems. By combining an analytical inverse design strategy for high‐fidelity 3D surface reconstruction with deep learning‐based closed‐loop control, this approach enables zero‐energy shape locking,
Kai Liu, Peiling Xie, Ruitong Song, Banghan Liu, Rui Guo, Jiu‐an Lv   +5 more
wiley   +1 more source

Experimental Study on the Purification of High-Hardness Arsenic-Containing Water Using Sintered-Clay Waste Materials. [PDF]

ACS Omega
Xin Q.
europepmc   +1 more source

Light‐Activated Ruthenium Nanoclusters Reprogram the Metabolic‐Quorum Sensing Axis for Precision Periodontitis Therapy

Advanced Science, EarlyView.
Under 660 nm visible light, Ru NCs efficiently photocatalyze nitrate‐to‐ammonium conversion and modulate oral nitrogen metabolism. They precisely perturb Veillonella parvula, block its key support to Porphyromonas gingivalis, and exert an “inhibiting without killing” antivirulence effect.
Jing Zhou, Xiaolin Sun, Chengyu Liu, Yujia Shi, Meiqi Li, Meng Bo, Jingjie Zhai, Chunyan Li, Zhennan Wu, Xue Bai, Lin Wang   +10 more
wiley   +1 more source

Technology and Rheological Properties of Warm Asphalt Rubber Based on an Ultra-Warm Mix Additive (UWM)-Sasobit Composite System. [PDF]

Polymers (Basel)
Xu S, Zhao L, Liulin S, Niu X, Jia X, Cai H.   +5 more
europepmc   +1 more source

DHODH Drives Sunitinib Resistance Via a Non‐Enzymatic Mechanism by Inhibiting TRIM28 Ubiquitination and Consequent VEGFA Activation in RCC

Advanced Science, EarlyView.
This non‑enzymatic function of DHODH drives sunitinib resistance by competing with TRIM37 to block TRIM28 ubiquitination, thereby stabilizing TRIM28 and activating VEGFA transcription. Disrupting the DHODH–TRIM28 interaction with lisaftoclax restores drug sensitivity.
Shijie Qian, Shihang Pu, Zhipeng Xu, Yiheng Ding, Ling Jin, Baochao Li, Qi Li, Xiaohai Xi, Zengjun Wang, Jiajun Xing, Aiming Xu   +10 more
wiley   +1 more source