Results 191 to 200 of about 69,527 (244)

Data‐Driven Cation Engineering Guides Electrolyte Design for Sustainable Aqueous Zinc Battery Chemistries

Advanced Materials, EarlyView.
To address the persistent challenges of vanadium dissolution and capacity fading in zinc‐ion batteries, we introduce a cation‐engineered electrolyte strategy underpinned by a data‐driven framework. This approach efficiently and reliably predicts a Na+‐Mg2+‐Zn2+ tri‐cation electrolyte with well‐balanced and sustainable advantages, enabling Zn/VOx ...
Xuesong Xie, Yinfei Lyu, Huorong Ren, Witold Pedrycz, Yifan Li, Yang Yang, Xuehai Tan, Minggang Xie, Yi Guan, Yuxuan Xue, Ning Chen, Zhi Li   +11 more
wiley   +1 more source

The genesis of citrated ultrathin hydroxyapatite nanorods. [PDF]

Sci Adv
Wang Y, Yan S, Tan X, Gerhard E, Xu H, Jiang H, Yang J.   +6 more
europepmc   +1 more source

Enzyme-Triggered Formation of Tensegrity Structures for Mechanospatial Manipulation of Hydrogels. [PDF]

Gels
Wang J, Han X, Li Q, Qin M, Xue B, Sun W, Cao Y, Sun W.   +7 more
europepmc   +1 more source

Abrupt eruptive instability of ice adhered to solid surfaces. [PDF]

Sci Adv
Wang L, Wu K, Zhang H, Xue H, Zhou X, Liu J, Wang J.   +6 more
europepmc   +1 more source

Assessing Polymorph Stability and Phase Transitions at Finite Temperature: Integrating Crystal Structure Prediction, Lattice Dynamics, and Molecular Dynamics. [PDF]

J Chem Theory Comput
Correa GB, Konstantinopoulos S, Tan BI, Zhang Y, Tavares FW, Adjiman CS, Maginn EJ.   +6 more
europepmc   +1 more source

SFTGNN: An Efficient Spherical Fourier Transform-Enhanced Graph Neural Network for High-Accuracy Crystal Property Prediction. [PDF]

ACS Omega
Jiang Z, Tian H.
europepmc   +1 more source

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First-Principles Statistical Mechanics of Multicomponent Crystals

Annual Review of Materials Research, 2018
The importance of configurational, vibrational, and electronic excitations in crystalline solids of technological interest makes a rigorous treatment of thermal excitations an essential ingredient in first-principles models of materials behavior. This contribution reviews statistical mechanics approaches that connect a crystal's electronic structure ...
A. Van der Ven, J.C. Thomas, B. Puchala, A.R. Natarajan   +3 more
openaire   +3 more sources

Statistical Mechanics with Particular Reference to the Vapor Pressures and Entropies of Crystals

Reviews of Modern Physics, 1932
Fowler, R. H., Sterne, T. E.
openaire   +3 more sources

Statistical Mechanics of Freely Fluctuating Two-Dimensional Elastic Crystals

Journal of Statistical Physics, 2020
The paper is dedicated to Joel Lebowitz and recalls his personal and scientific encounters with Y. Sinai, common scientific interests and joint publications. Although no original new results are presented, some known theory concerning the statistical physics of freely fluctuating two-dimensional crystals subject to a non-linear elastic Hamiltonian is ...
M. E. H. Bahri, Y. Sinai
openaire   +1 more source