Results 51 to 60 of about 2,565 (210)

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

Molecular association of normal alkanoic acids with their thallium(I) salts: a new homologous series of fatty acid metal soaps

Journal of Lipid Research, 1997
A new homologous series of thallium(I) hydrogen dialkanoates, fatty acid thallium soaps, from the dipropane up to the ditetradecane is reported for the first time.
M Fernández-García, M V García, M I Redondo, J A Cheda, M Fernández-García, E F Westrum, Jr, F Fernández-Martín   +6 more
doaj   +1 more source

Investigation on solution properties of surfactants in mixed solvent media: Landmark towards Surface Chemistry in Eastern Nepal

Bibechana, 2014
Surfactants are amphiphilic molecules having a hydrophilic or water soluble moiety (head group) and a hydrophobic, or water insoluble moiety (tail group).
Ajaya Bhattarai
doaj   +3 more sources

Studies in Heavy Metal Soaps. Synthesis or Chloride Soaps or Aluminium

, 1962
Mono and dichloride soaps awl tri-soaps of aluminium have been synthesised by the interaction of anhydrous aluminium chloride and fatty acids in different stoiehiometric ratios in different organic solvents. All chloride maps and tri-soaps give mobile solutions of low viscosity in organic solvents.
R. C. Mehrotra, A. K. Rai
openaire   +2 more sources

Evaluation of plasma‐reaction‐driving capability in dielectric barrier discharge systems: Insights from CH4 splitting

AIChE Journal, EarlyView.
Abstract Dielectric barrier discharge (DBD) plasma systems are promising routes for CH4 splitting to COx‐free hydrogen, but their optimization has historically been hindered by the lack of a universal descriptor linking electrical input with chemical output.
Nan Zou, Joshua M. Pearce, Amarjeet Bassi, Michael S. H. Boutilier, Ying Zheng   +4 more
wiley   +1 more source

Uncovering hidden jewels: an investigation of the pictorial layers of an 18th-century Taskin harpsichord

Heritage Science, 2020
The Peleș National Museum in Sinaia, Romania, includes within its collection of musical instruments a unique harpsichord of the Taskin workshop. The instrument is representative of the eighteenth century French harpsichords, finished in 1772 by Taskin ...
Ioana Maria Cortea, Luminița Ghervase, Lucian Ratoiu, Monica Dinu, Roxana Rădvan   +4 more
doaj   +1 more source

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

DIPOLE MOMENTS OF METALLIC SOAPS

, 1950
The dipole moments of six metallic soaps, viz., the oleates of Zn Cu, Mg, Ni, Pb and Ca have been determined by a heterodyne beat method. The values Are 0.29 D, 1.20 D, 1.66 D, 2.67 D, 4.29 D and 4.49 D respectively. Though the metallic soaps are generally regarded as non-polar from their physico-chemical, particu­larly solubility behaviour, being ...
BIRENDRA CHANDRA BANERJEE, SANTI R. PALIT   +1 more
openaire   +2 more sources

Harnessing Machine Learning to Understand and Design Disordered Solids

Advanced Intelligent Discovery, EarlyView.
This review maps the dynamic evolution of machine learning in disordered solids, from structural representations to generative modeling. It explores how deep learning and model explainability transform property prediction into profound physical insight.
Muchen Wang, Yue Fan
wiley   +1 more source

Comparative study of the physicochemical, antimicrobial and stability properties of silver, copper and zinc nanoparticle soaps

Discover Chemistry
This study presents a comparative evaluation of green-synthesized silver (AgNP), copper (CuNP), and zinc (ZnNP) nanoparticle-based soaps, using a commercial formulation (Soap A) as a benchmark.
Aliyu Shehu, Okunola Oluwole Joshua, Uduma A. Uduma   +2 more
doaj   +1 more source