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Article
Anharmonic quantum thermal transport across a van der Waals interface
We investigate the anharmonic phonon scattering across a weakly interacting interface by develo** a quantum mechanics-based theory. We find that the contribution from anharmonic three-phonon scatterings to i...
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Article
Construction of TiO2-pillared multilayer graphene nanocomposites as efficient photocatalysts for ciprofloxacin degradation
We successfully constructed TiO2-pillared multilayer graphene nanocomposites (T-MLGs) via a facile method as follows: dodecanediamine pre-pillaring, ion exchange (Ti4+ pillaring), and interlayer in-situ formation...
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Article
Open AccessEPIC STAR: a reliable and efficient approach for phonon- and impurity-limited charge transport calculations
A computationally efficient first-principles approach to predict intrinsic semiconductor charge transport properties is proposed. By using a generalized Eliashberg function for short-range electron–phonon scat...
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Article
Chemisorption of Moisture-Induced Hydrogen and the Embrittlement Effects in Transition Metal Aluminides
Based on simple thermodynamic models free energies of chemisorption of water vapor in transition metal aluminides and enthalpies and entropies of formation of solid solutions of hydrogen in the aluminides are ...
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Article
Interfacial Cohesion Control by Solute Segregation
Interfacial cohesion is determined by the cohesive energy of the interface. Knowing the segregation energies of solute in the interface and on the adjoining free surfaces and mobilities of segregant atoms, the...
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Article
The Directionality of Interfacial Cracking in Bimaterials
Directionality of interfacial cracking resistance in bicrystals has been predicted by a modified Rice-Thomson model and supported by experimental results on Σ9 [110]/(2
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Article
The Misorientation Dependence of the Fracture Behavior of F.C.C. Metal Bicrystals
The ductile versus brittle response of Cu bicrystal interfaces with different misorientations and Bi segregation levels has been investigated. The fracture behavior of the bicrystals and the morphology of the ...
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Article
A new type of brittle fracture in a fcc metal bicrystal with intergranular segregation
A new type of brittle fracture was discovered in a Cu–Bi alloy bicrystal with a random misorientation interface. Macroscopically, fracture occurred along the interface with a low-energy release rate of order 5...