Results 91 to 100 of about 24,790 (199)

Enhanced Strength and Corrosion Resistance of Ti‐13Nb‐12Ta‐10Zr‐4Sn Alloy by Aging Treatment

Advanced Engineering Materials, EarlyView.
This work systematically investigates the effect of aging treatment on mechanical properties and corrosion behavior of vacuum arc‐melted Ti‐13Nb‐12Ta‐10Zr‐4Sn alloy. Owing to the increased α″ martensite, strength and corrosion resistance were significantly enhanced by aging treatment.
Yuhua Li, Rong Zhao, Qian Zhang, Haojie Wang, Yujing Liu, Lai‐Chang Zhang   +5 more
wiley   +1 more source

A Comprehensive Machine Learning Model for Metal-Ligand Binding Prediction: Applications in Chemistry and Biology. [PDF]

J Chem Inf Model
Karunaratne E, Zahariev F, García MP.
europepmc   +1 more source

Toward Knowledge‐Based Workflows: A Semantic Approach to Atomistic Simulations for Mechanical and Thermodynamic Properties

Advanced Engineering Materials, EarlyView.
Knowledge‐based atomistic workflows are presented for mechanical and thermodynamic properties. By coupling modular simulations with ontology‐aligned metadata and provenance, Fe case studies on elastic behavior, defects, thermal properties, and Hall–Petch strengthening reveal how FAIR, queryable, and reusable simulation data can be generated. Mechanical
Abril Azócar Guzmán, Hoang‐Thien Luu, Sarath Menon, Tilmann Hickel, Nina Merkert, Stefan Sandfeld   +5 more
wiley   +1 more source

Theoretical investigation of Rb-based double halide perovskites for photovoltaic, photocatalytic water splitting, and CO₂ reduction applications. [PDF]

RSC Adv
Rafiu R, Apon IA, Rahman MA, Alsuhaibani AM, Refat MS, Benghanem M, AlFaify S, Elboughdiri N.   +7 more
europepmc   +1 more source

Electrochemical Behavior of Flame‐Sprayed Sc‐Doped AlCoCrFeMo High‐Entropy Alloy Coatings in 3.5% Sodium Chloride Solution

Advanced Engineering Materials, EarlyView.
Scandium (Sc)‐doped AlCoCrFeMo HEA coatings are fabricated via flame spraying with 0.1, 0.3, and 0.5 wt% Sc additions. Among these, the HEA‐Sc0.3 coating exhibits the highest corrosion resistance, indicated by a more positive corrosion potential and lower current density.
Pankaj Kumar, Akash Vyas, Mohammad Aatif Qazi, Nashit Jalal, Maria Ophelia Jarligo, Mostafa Yakout, Jing Liu, André McDonald   +7 more
wiley   +1 more source

Exploring lead-free A₂AgRhF₆ fluoride double perovskites for photovoltaic applications: a first-principles and device simulation study. [PDF]

RSC Adv
Apon IA, Rafiu R, Hasan MS, Rahman MA, Sumaia SS, Alsuhaibani AM, Refat MS, Benghanem M, AlFaify S, Elboughdiri N.   +9 more
europepmc   +1 more source

Molecular Dynamics Studies of Shape Memory Polymers: From Bead–Spring Models to Atomistic Simulations

Advanced Engineering Materials, EarlyView.
Coarse‐grained (left) and atomistic (right) models of the shape memory polymer ESTANE ETE 75DT3 are shown schematically. The two representations bridge molecular detail and mesoscopic description. Both models capture shape memory behavior, linking segmental mobility and conformational relaxation of anisotropic chains to macroscopic recovery, and ...
Fathollah Varnik
wiley   +1 more source

Molecular and Analytical Understanding of Resveratrol Interactions for Advanced Biotechnological Applications. [PDF]

Molecules
Brahmi M, Moumnassi S, Gharsallaoui A.
europepmc   +1 more source

Encyclopedia of 2D β′‐In2Se3 Growth Using Chemical Vapor Deposition: The Effects of Synthesis Parameters Onto Material Quality

Advanced Engineering Materials, EarlyView.
A distinct semi‐confined inner‐tube chemical vapor deposition geometry enables reproducible, large‐area growth of phase‐pure 2D β′‐In2Se3 from InI + Se precursors. Engineering local vapor transport and optimizing precursor delivery and temperature–time conditions yield uniform continuous films.
Dasun P. W. Guruge, P. Sanju S. Panawala, Joseph F. S. Fernando, Zhenhuan Chen, Chao Zhang, Dong‐Chen Qi, Liangzhi Kou, Konstantin L. Firestein, Dmitri V. Golberg   +8 more
wiley   +1 more source

Bridging first-principles calculations and device simulations of A₃GaI₆ (A = K, Rb, Cs) double perovskites for next-generation solar cells: DFT, AIMD, and SCAPS-1D. [PDF]

RSC Adv
Jehangir MA, Rabhi S, Makhloufi R, Shimul AI, Khan AN, Bouderbala YI, Alsalmi OH, Sadaf S, Alam MW.   +8 more
europepmc   +1 more source