Results 161 to 170 of about 119,471 (294)

Stability of the fcc phase in shocked nickel up to 332 GPa. [PDF]

Nat Commun
Pereira KA, Clarke SM, Singh S, Briggs R, McGuire CP, Lee HJ, Khaghani D, Nagler B, Galtier E, Cunningham E, McGonegle D, Tracy SJ, Vennari C, Gorman MG, Coleman AL, Davis C, Hutchinson T, Eggert JH, Smith RF, Walsh JPS.   +19 more
europepmc   +1 more source

What to Make and How to Make It: Combining Machine Learning and Statistical Learning to Design New Materials

Advanced Intelligent Discovery, EarlyView.
Combining machine learning and probabilistic statistical learning is a powerful way to discover and design new materials. A variety of machine learning approaches can be used to identify promising candidates for target applications, and causal inference can help identify potential ways to make them a reality.
Jonathan Y. C. Ting, Amanda S. Barnard
wiley   +1 more source

Machine Learning‐Assisted Second‐Order Perturbation Theory for Chemical Potential Correction Toward Hubbard U Determination

Advanced Intelligent Discovery, EarlyView.
In this work, the Doubao large language model (LLM) is involved in the formula derivation processes for Hubbard U determination regarding the second‐order perturbations of the chemical potential. The core ML tool is optimized for physical domain knowledge, which is not limited to parameter prediction but rather serves as an interactive physical theory ...
Mingzi Sun, Tong Wu, Baian Chen, Zikang Li, Qiuyang Lu, Lu Lu, Hon Ho Wong, Cheuk Hei Chan, Bolong Huang   +8 more
wiley   +1 more source

Toward Predictable Nanomedicine: Current Forecasting Frameworks for Nanoparticle–Biology Interactions

Advanced Intelligent Discovery, EarlyView.
Predictive models successfully screen nanoparticles for toxicity and cellular uptake. Yet, complex biological dynamics and sparse, nonstandardized data limit their accuracy. The field urgently needs integrated artificial intelligence/machine learning, systems biology, and open‐access data protocols to bridge the gap between materials science and safe ...
Mariya L. Ivanova, Michael Nicholls, Nicola Russo, Gueorgui Mihaylov, Konstantin Nikolic   +4 more
wiley   +1 more source

Processing-Microstructure-Property Relationships in a Cu-Rich FeCrMnNiAl High-Entropy Alloy Fabricated by Laser and Electron Beam Powder Bed Fusion. [PDF]

Materials (Basel)
Diebel DM, Wegener T, Hu Z, Niendorf T.
europepmc   +1 more source

Synthesis of high-entropy hydride from the cantor alloy (fcc-CoCrFeNiMn) at extreme conditions. [PDF]

Nat Commun
Glazyrin K, Spektor K, Bykov M, B Carvalho PH, Dong W, Körmann F, Sano-Furukawa A, Hattori T, Beyer DC, Sahlberg M, Ikeda Y, Yu JH, Sangsun Y, Lee JS, Bhat S, Hanfland M, Grabowski B, Divinski S, Yusenko KV.   +18 more
europepmc   +1 more source

A new highly oxygen-deficient and cubic Pr₃ZrO_8-δ for intermediate-temperature thermochemical production of oxygen and hydrogen. [PDF]

Nat Commun
Lu J, Zhang Y, Chen L, Chen Y, An K, Shoukry Y, Jin X, Wang ZH, Mu S, Lei X, Huang K.   +10 more
europepmc   +1 more source

Mn-Promoted Co/TiO₂ Catalysts: Quantitative Analysis of Cobalt Polymorphs and Stacking Faults and Its Effect on Fischer-Tropsch Synthesis Performance. [PDF]

ACS Catal
Farooq D, Costley-Wood L, Stockenhuber S, Vamvakeros A, Price SWT, Allen LJ, Drnec J, Paterson J, Peacock M, Irving DJM, Chater PA, Beale AM.   +11 more
europepmc   +1 more source

Alloying Cu, Fe, and Co in Ni/YSZ Electrodes for High‐Temperature CO2 Electrolysis: Impact on TPB Density, Activity, and Carbon Deposition Resistance

Carbon Energy, EarlyView.
Systematic alloying of Ni with Cu, Fe, and Co in Ni/YSZ electrodes modifies active site density up to 43%, decreases activation energies by up to 44%, and reduces carbon deposition fourfold. Cu–Ni alloy is among the most promising alloy catalysts for electrochemical CO2 reduction in SOECs.
Min Jun Oh, Sooin Lee, Jeeho Hong, Kyung Joong Yoon, Ho‐Il Ji, Ji‐Won Son, Jong‐Ho Lee, Kyeounghak Kim, Jongsup Hong, Sungeun Yang   +9 more
wiley   +1 more source

Phase-Tuning of Ru Nanostructures in Ru/ZrO₂ Catalysts for Controlling Radical and Nonradical Pathways of Peroxymonosulfate-Based Oxidation and Defluorination of a Fluorinated Anticancer Drug. [PDF]

ACS Appl Mater Interfaces
Park J, Bae S, Choi Y, Choe JK.
europepmc   +1 more source