Results 151 to 160 of about 3,006,412 (323)

JThermodynamicsCloud: Cloud-based tool for temperature dependent thermodynamic calculations using group additivity rules and data management

Case Studies in Chemical and Environmental Engineering
JThermodynamicsCloud, as its predecessors JThermodynamics, JTherGas and TherGas, use a dataset of fundamental data, such as Benson rules, the HBI method, symmetry corrections, steric corrections, ring strain and nearest neighbor interactions, to ...
Edward S. Blurock
doaj   +1 more source

Phase Diagrams and Piezoelectric Properties of Wurtzite Al1−x−yScxGdyN Heterostructural Alloys

Advanced Science, EarlyView.
This study demonstrates ferroelectricity and piezoelectric properties improvement of quaternary wurtzite Al1−x−yScxGdyN${\rm Al}_{1-x-y}{\rm Sc}_x{\rm Gd}_y{\rm N}$ films, guided by density functional theory calculations. Wurtzite Al1−x−yScxGdyN${\rm Al}_{1-x-y}{\rm Sc}_x{\rm Gd}_y{\rm N}$ films have a high optical bandgap, enhanced piezoelectric ...
Julia L. Martin, Cheng‐Wei Lee, Nate S.P. Bernstein, Thi Nguyen, Ande Bryan, Eli Cooper, John S. Mangum, Sage R. Bauers, Andriy Zakutayev, Keisuke Yazawa, Prashun Gorai, Rebecca W. Smaha   +11 more
wiley   +1 more source

Prediction of Activity of Au-Sn-Based Lead-Free Solder Using Modified Molecular Interaction Volume Model

Metals
Controlling thermodynamic properties is critical for the rational design and development of advanced lead-free solders, especially in high-temperature applications.
Hai Wu, Liangliang Chen, Liguo Zhu, Lingxin Kong, Ganggang Liu, Bin Yang, Yong Deng   +6 more
doaj   +1 more source

Diffusion–Model–Driven Discovery of Ferroelectrics for Photocurrent Applications

Advanced Science, EarlyView.
We developed a diffusion model–based generative AI and high‐throughput screening framework that accelerates the discovery of photovoltaic ferroelectrics. By coupling AI driven crystal generation with machine learning and DFT screening, we identified Ca3P2 and LiCdP as new ferroelectric materials exhibiting strong polarization, feasible switching ...
Byung Chul Yeo, Hyun‐Jae Lee, Sungwoo Kang, Jung‐Hoon Lee   +3 more
wiley   +1 more source

Data to reproduce and modify "An approach for screening single phase high-entropy alloys using an in-house thermodynamic database". [PDF]

Data Brief, 2018
Tapia AJSF, Yim D, Kim HS, Lee BJ.
europepmc   +1 more source

Unveiling a Bulk WTaV Multicomponent Alloy With Superior Thermal Properties and Manufacturability

Advanced Science, EarlyView.
ABSTRACT Many tungsten (W)‐based medium and high entropy alloys (HEA) demonstrate superior microstructural stability and enhanced mechanical properties as compared to pure W, effectively rendering them as viable candidate materials for extreme environments such as nuclear fusion, aerospace applications, and so on.
Ishtiaque K. Robin, Skye N. Supakul, Shalini Tripathi, Eda Aydogan, Matthew T. Vigil, Caleb Hatler, Bochuan Sun, Akshay Korpe, Enrique Martinez, Saryu J. Fensin, Dan J. Thoma, Osman El‐Atwani   +11 more
wiley   +1 more source

Electrolyte Additive Strategies in Aqueous Zn‐Ion Batteries: Recent Advances and Prospects

Advanced Science, EarlyView.
This article provides a comprehensive overview of the current status and future development directions of AZIBs electrolyte additives in three aspects: stabilizing zinc anodes (uniform deposition, inhibition of dendritic crystals), protecting cathodes (structural stability, inhibition of dissolution), and enhancing electrolyte stability (wider ...
Yuanze Yu, Hongmin Liu, Long Fan, Huakun Liu, Shixue Dou, Guoxiu Wang, Nana Wang, Zhongchao Bai   +7 more
wiley   +1 more source

Progresses on Thermodynamic Databases

IOP Conference Series: Materials Science and Engineering, 2018
Liping Guo, Long Li, Yafei Guo, Tianlong Deng   +3 more
openaire   +1 more source

A Single‐Enzyme Activated CRISPR‐Cas12a Nano System via Subtly Balanced dsDNA for Kinetic‐Gated UDG Detection and Spatiotemporal Cellular Imaging

Advanced Science, EarlyView.
Kinetic‐gated CRISPR–Cas12a activation enables single‐enzyme detection and spatiotemporal imaging of UDG ABSTRACT Uracil‐DNA glycosylase (UDG) is a key enzyme in base excision repair and an important biomarker for genomic stability and disease. In many reported sensing systems, uracil excision is coupled to signal generation through additional ...
Kejun Dong, Hao Hu, Haiyun Wang, Zijia Zheng, Shuangshuang Cheng, Wan Shu, Ruisi Liu, Xiaoyan Xin, Shiyi Huang, Dingchao Qian, Xianjin Xiao, Qiang Fu, Hongbo Wang   +12 more
wiley   +1 more source

A Modular and Programmable Cas13d Platform for RNA Single Nucleotide Variant Detection

Advanced Science, EarlyView.
A scenario‐guided Cas13d platform enables configurable single nucleotide variant ribonucleic acid diagnostics through rule‐based guide design and ribonucleic acid binding domain engineering, supporting amplification‐free ultrasensitive detection and amplification‐coupled robust detection for accurate mutation classification in clinical tumor specimens.
Zeyu Wang, Jiahao Li, Zhuying Yue, Beixuan He, Wenhua Zhang, Zhen Fang, Qing Xia, Yingbin Liu, Yanjing Li   +8 more
wiley   +1 more source