Results 251 to 260 of about 24,701,591 (295)

Elastic Properties and Thermal Expansion Behavior of a Polycrystalline VMnFeCoNi High‐Entropy Alloy

Advanced Engineering Materials, EarlyView.
The high‐entropy alloy (HEA) V20Mn20Fe20Co20Ni20 (composition in at.%) can be made single‐phase face‐centered cubic (FCC) when annealed above 1338 K followed by water quenching. In this state, the alloy exhibits the greatest strength‐ductility combination of any quinary single‐phase FCC HEA.
Guillaume Laplanche, Marie Münchhalfen, Aditya Srinivasan Tirunilai, Jürgen Schreuer   +3 more
wiley   +1 more source

Superlubricity and Corrosion Inhibition Properties of Solvate Ionic Liquids in Hybrid Carbon Fiber Reinforced Plastic–Steel Interfaces

Advanced Engineering Materials, EarlyView.
Solvate ionic liquids lubrication reduced the coefficient of friction by ∼60% compared to dry sliding, reaching steady‐state values as low as 0.04–0.05. Corrosion weight‐loss measurements in 1 M HCl further demonstrated significant inhibition behavior, with only 100 ppm of [Li(G3)][TFSI] (∼68.5 μL/L) reducing corrosion‐product weight loss by 63 ...
Sameh Dabees, Timothy Harte, Bhagya Dharmasiri, Y. Athulya Wickramasingha, David J. Hayne, Daniel J. Eyckens, Luke C. Henderson   +6 more
wiley   +1 more source

Architecture‐Driven Sensor Stability in Weft‐Knitted Engineering Textiles

Advanced Engineering Materials, EarlyView.
Textile‐integrated sensor architectures are systematically compared to evaluate their electromechanical behavior under combined mechanical and environmental loading. Pocket‐based integration exhibits stable and reproducible signals, whereas tunnel‐based routing shows higher sensitivity accompanied by increased variability.
Adnan Maroof Khan, Johannes Wendler, Dilbar Aibibu, Johannes Mersch, Michael Wöltje, Chokri Cherif   +5 more
wiley   +1 more source

Self‐Cleaning Sensor Surfaces for Long‐Term Environmental Monitoring

Advanced Engineering Materials, EarlyView.
Long‐term use of unattended outdoor sensors without soiling or biofouling is achieved through generation of a micro‐ and nanorough cuvette surface by combing hydrophobic nanoparticles with fluorinated polymers, crosslinked and surface‐attached through CHic chemistry. The coating demonstrates self‐cleaning behavior and prolonged outdoor stability, which
Sanam Kumari Rajak, Yasmina Frey, Ulrike Wallrabe, Oswald Prucker, Jürgen Rühe   +4 more
wiley   +1 more source

Entropy‐Driven Design of Low‐Melting‐Point Alloys via Compositionally Complex Strategy

Advanced Engineering Materials, EarlyView.
Conventional low‐melting‐point alloys (LMPAs) are limited by a narrow compositional space and inherent property trade‐offs. This review presents an entropy‐driven design strategy that overcomes these limitations, ushering in a new class of low‐melting‐point compositionally complex alloys (LMCCAs).
Yinghui Shang, Jianxiang Zhao, Zhaoqi Chen, Hao Gong, Yinsen Yan, Junlei Tao, Yong Yang   +6 more
wiley   +1 more source

Density-functional theory for time-dependent systems

Physical Review A, 1987
The time-dependent density-functional theory of Runge and Gross [Phys. Rev. Lett. 52, 997 (1984)] is reexamined on the basis of its limitations, and the criticisms raised by Xu and Rajagopal [Phys. Rev. A 31, 2682 (1985)] are addressed, within the imposition of natural boundary conditions of vanishing density and potential at infinity.
, Dhara, , Ghosh
openaire   +3 more sources

General excitations in time-dependent density functional theory

The Journal of Chemical Physics, 2007
A general framework within time-dependent density functional theory is presented for the calculation of excitations to states of arbitrary multiplicity in molecular systems with a non-singlet ground state. The proposed approach combines generalized orbital excitation operators designed to generate excited states which have well-defined multiplicities ...
Olav, Vahtras, Zilvinas, Rinkevicius
openaire   +3 more sources

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TIME-DEPENDENT DENSITY FUNCTIONAL THEORY

Annual Review of Physical Chemistry, 2003
▪ Abstract  Time-dependent density functional theory (TDDFT) can be viewed as an exact reformulation of time-dependent quantum mechanics, where the fundamental variable is no longer the many-body wave function but the density. This time-dependent density is determined by solving an auxiliary set of noninteracting Schrödinger equations, the Kohn-Sham ...
M A L, Marques, E K U, Gross
openaire   +2 more sources

Relativistic time-dependent density functional theories

Chemical Society Reviews, 2018
The foundations, formalisms, technicalities, and practicalities of relativistic time-dependent density functional theories (R-TD-DFT) for spinor excited states of molecular systems containing heavy elements are critically reviewed.
Wenjian Liu, Yunlong Xiao
openaire   +2 more sources

Memory in Time-Dependent Density Functional Theory

Physical Review Letters, 2002
Exact time-dependent density functionals remember both the entire history of the density and the initial wave function. We show that the two effects are intimately related, and all history dependence can be written as initial-state dependence, including that of the exchange-correlation kernel.
Neepa T, Maitra, Kieron, Burke, Chris, Woodward   +2 more
openaire   +2 more sources