Results 211 to 220 of about 16,263,301 (302)

Integrating First-Principles Modeling with Explainable Machine Learning for Non-Isothermal Chromatography. [PDF]

ACS Omega
Bilal M, Haq S, Asif M, Alhartomi AM.
europepmc   +1 more source

Fabrication Routes for Ionic Conducting Fiber Strain Sensors

Advanced Engineering Materials, EarlyView.
Ionic conducting fiber strain sensors (ICFSs) offer compliant, textile‐integrable sensing. Thus far, the commercialization of ICFSs has been constrained by fiber fabrication routes. This review provides a fabrication‐centric analysis of ICFSs correlating processing strategies with material properties and scalability.
Leo John Kershaw, Zhanhong Yang, Anne Ladegaard Skov, Magdalena Skowyra   +3 more
wiley   +1 more source

First Principles Rovibronic Absorption Spectra of HF Molecule. [PDF]

J Comput Chem
Abu El Kher N, Shibli M, Korek M, Yurchenko SN, Tennyson J, El-Kork N.   +5 more
europepmc   +1 more source

Gallium Microalloying in Bi–Sn Solders: Interfacial Phase Formation, Wettability, and Long‐Term Shear Reliability Under Isothermal Aging

Advanced Engineering Materials, EarlyView.
Gallium microalloying redirects interfacial reactions in low‐temperature Bi–Sn solders from Cu–Sn toward Cu–Ga intermetallic formation. The resulting Cu–Ga layer suppresses intermetallic growth during thermal aging, alters fracture pathways, and improves interfacial stability.
Iva Králová, Markéta Klimtová, Mohd Faizul Mohd Sabri, Yew Hoong Wong, Petr Veselý, Martin Plaček, Karel Dušek   +6 more
wiley   +1 more source

Disentangling Electronic and Lattice Contributions to Transient Absorption in Metal Halide Perovskites: A First-Principles Study of CH3NH3PbBr3. [PDF]

J Am Chem Soc
Qiao L, Pela RR, Draxl C.
europepmc   +1 more source

Morphology, Transport, and Dynamics of Protein Adsorption in Open‐Cell Metal Foam

Advanced Engineering Materials, EarlyView.
Stainless steel (SS) open‐cell foams are shown to adsorb more protein per unit area than previously reported 316L SS and chromium oxide surfaces under static and flow conditions. An integrated approach combining 3D pore imaging, flow simulation, and protein adsorption experiments characterizes the foam’s performance.
Chinmaya Prerana Inguva, Joseph Lavoie, Afsaneh Rabiei   +2 more
wiley   +1 more source

Predicting Core-Level X-ray Photoemission Spectra of Oxide Surfaces from First-Principles─A Case Study for SnO2. [PDF]

J Am Chem Soc
Cai W, Kucharski S, Blackman C, Kahk JM, Lischner J.   +4 more
europepmc   +1 more source

Investigating the Low‐Temperature Phase Stability of the Binary Ta–W System

Advanced Engineering Materials, EarlyView.
Atomistic simulations show that the binary Ta–W system forms ordered intermetallic phases, B2‐TaW and D03‐TaW3, as 0 K ground states. Configurational entropy, however, lowers the free energy of the disordered bcc solid solution, which becomes the stable phase above about 400 K.
Klemens Lechner, Anna Sophie Jelinek, Velislava Terziyska, Peter Wagatha, Wolfram Knabl, Christian Mitterer, Helmut Clemens, David Holec   +7 more
wiley   +1 more source

Cooperative stabilization mechanism and electrostatic evolution in the zero dimensional arsenolite cluster aggregates: a first principles investigation. [PDF]

RSC Adv
Ali B, Majid A, Raza MT, Hamza A, Almasry W, Usman M, Haider S.   +6 more
europepmc   +1 more source

High‐Entropy Alloy Interlayers Toward Advanced Joining for High‐Performance Structural Applications: Current Progress and Emerging Challenges

Advanced Engineering Materials, EarlyView.
HEA interlayers offer a versatile route for joining high‐performance structural materials. Their compositional and structural design regulates interfacial reactions, suppresses brittle IMCs, and improves metallurgical bonding. Sandwich interlayers further integrate defect healing with precipitation strengthening, enabling improved strength–ductility ...
Lin Yuan, Jiafen Song, Jinglong Li, Jiangtao Xiong, Tao Yang   +4 more
wiley   +1 more source