Results 141 to 150 of about 54,467 (314)

Modulating the Swelling Behavior of Polymer Brushes via Interfacial Chemistry

Angewandte Chemie, EarlyView.
Modulating substrate surface chemistry of surface‐grafted polymer brushes via variation of the chemical composition of spacers that anchor initiators for surface‐initiated atom transfer polymerizations allows to tune swelling of these thin polymer films.
Kuljeet Kaur, Sabrina Sant, Leon A. Smook, Sissi de Beer, Harm‐Anton Klok   +4 more
wiley   +2 more sources

Mechanisms of Alkali Ionic Transport in Amorphous Oxyhalides Solid State Conductors

Advanced Energy Materials, EarlyView.
Large‐scale machine learning‐based molecular dynamics simulations are used to investigate isovalent amorphous oxyhalides, revealing a remarkable chemically independent ionic conductivity. A rigorous analysis of alkali residence times across different metal–anion environments identifies divalent anions as key diffusion bottlenecks.
Luca Binci, KyuJung Jun, Bowen Deng, Gerbrand Ceder   +3 more
wiley   +1 more source

Optimize Before You Synthesize—Enhancing the Ionic Conductivity of Li7SiPS8 Using Bayesian Optimization

Angewandte Chemie, EarlyView.
Bayesian optimization was used to optimize the synthesis parameters of the solid electrolyte Li7SiPS8$\mathrm {Li}_7\mathrm {SiPS}_8$ in order to increase the ionic conductivity. After only 32 iterations, the ionic conductivity was successfully increased from 2 to 7 mS cm−1$\mathrm {cm}^{-1}$ at 25∘C$^\circ\mathrm {C}$, while synthesis temperature and ...
Lucas G. Balzat, Robert Calaminus, Yinghan Zhao, Kristina Gjorgjevikj, Igor Moudrakovski, Simon Krause, Arnd Koeppe, Britta Nestler, Bettina V. Lotsch   +8 more
wiley   +2 more sources

Influence of displacement damage dose on dark current distributions of irradiated CMOS image sensors [PDF]

Dark current increase distributions due to displacement damages are modeled using displacement damage dose concept. Several CMOS image sensors have been exposed to neutrons or protons and we have characterized their degradation in terms of dark current ...
Goiffon, Vincent, Bardoux, Alain, Petit, Sophie, Rolland, Guy, Saint-Pé, Olivier, Virmontois, Cédric, Girard, Sylvain, Magnan, Pierre   +7 more
core  

Comparison of DeePMD, MTP, GAP, ACE and MACE Machine‐Learned Potentials for Radiation‐Damage Simulations: A User Perspective

Advanced Intelligent Discovery, EarlyView.
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy, Ram Devanathan, Sarah Allec, Giridhar Nandipati, Andrew M. Casella, David J. Senor, Duane D. Johnson, Ganesh Balasubramanian, Ayoub Soulami   +8 more
wiley   +1 more source

Dual Activation of H2 and CO2 by a Pincer‐Type Ni–Zn Heterobimetallic Complex

Angewandte Chemie, EarlyView.
A bimetallic Ni−Zn complex performs sequential activations of H2 (1 equiv) and CO2 (2 equiv). This bimetallic cooperativity is attributed to the weak Lewis acidic nature of Zn(II), which promotes fluxional ligand binding. Namely, an X‐type ligand at Ni, where X is hydride or formate, toggles between two different binding modes: bridging Zn(μ‐X)Ni and ...
Krishnendu Dey, Matthias Borowski, Gregor Schnakenburg, Connie C. Lu   +3 more
wiley   +2 more sources

Comparison of the induction of pulmonary neoplasms in Sprague-Dawley rats by fission neutrons and radon daughters [PDF]

, 1984
Kellerer, Albrecht M., Chmelevsky, D., Masse, R., Morin, M., Lafuma, J.   +4 more
core   +1 more source

Expression of Interest: The Atmospheric Neutrino Neutron Interaction Experiment (ANNIE)

, 2015
Submitted for the January 2014 Fermilab Physics Advisory Committee meetingSubmitted for the January 2014 Fermilab Physics Advisory Committee meetingSubmitted for the January 2014 Fermilab Physics Advisory Committee meetingSubmitted for the January 2014 ...
Yeh, M, Bergevin, M, Vagins, M, Sanchez, MC, Hill, R, Wagner, R, Elagin, A, Varner, G, Jocher, G, Davies, G, Beacom, JF, Anghel, I, Ramberg, E, Pilcher, C, Lodovico, FD, Smy, M, Winslow, L, Katori, T, Learned, J, Frisch, H, Wetstein, M, Sobel, H, Northrop, R, Usman, S, Svoboda, R   +24 more
core  

Autonomous AI‐Driven Design for Skin Product Formulations

Advanced Intelligent Discovery, EarlyView.
This review presents a comprehensive closed‐loop framework for autonomous skin product formulation design. By integrating artificial intelligence‐driven experiment selection with automated multi‐tiered assays, the approach shifts development from trial‐and‐error to intelligent optimisation.
Yu Zhang, Yongrui Xiao, Chunlin Chen, Dimitrios Tsaoulidis, Kai Yang, Tao Chen   +5 more
wiley   +1 more source

Controlling Exsolution Dynamics in High‐Entropy Oxides for Highly Active and Selective Acetylene Semi‐Hydrogenation

Angewandte Chemie, EarlyView.
Li+‐induced lattice distortion, valence variation, and local charge redistribution in a rock salt‐structured high‐entropy oxide enable controlled metal exsolution, altering the Cu–Ni–Co exsolution sequence and delivering a surface Cu0‐enriched catalyst with exceptional activity and ethylene selectivity for acetylene semi‐hydrogenation.
Hailing Yu, Caiqi Wang, Kevin M. Siniard, Qingju Wang, Yuanpeng Zhang, J. Anibal Boscoboinik, Xiao Tong, Eliseo Perez Gomez, Shuai Yuan, Arun S. Asundi, Oliver Mueller, Murillo Longo Martins, Yongqiang Cheng, Michael Richard Koehler, De‐en Jiang, Zili Wu, Zhenzhen Yang, Sheng Dai   +17 more
wiley   +2 more sources