Showing papers in "Philosophical Magazine in 2020"
TL;DR: In this article, the doping concentration dependence of the thermoelectric properties for the n-and p-doped CaIn2P2 layered Zintl phase at two fixed temperatures was studied.
Abstract: We have studied the doping concentration dependence of the thermoelectric (TE) properties for the n- and p-doped CaIn2P2 layered Zintl phase at two fixed temperatures: T = 600 and 900 K through fir...
99 citations
TL;DR: In this article, low alloy steel was pack-borided at different processing temperatures (850, 950, and 1050°C) and times (2, 4, and 6 h).
Abstract: Low alloy steel was pack-borided at different processing temperatures (at 850, 950, and 1050°C) and times (2, 4, and 6 h). The microstructural characterisation of boronized steel showed the...
33 citations
TL;DR: The anharmonic interaction and scattering of phonons by a moving dislocation, the photon wind, imparts a drag force vB(v,T,ρ) on the dislocation as mentioned in this paper.
Abstract: The anharmonic interaction and scattering of phonons by a moving dislocation, the photon wind, imparts a drag force vB(v,T,ρ) on the dislocation. In early studies, the drag coefficient B wa...
23 citations
TL;DR: The effect of yttrium (Y) on the critical resolved shear stresses (CRSS) of base slip, tension twinning and pyramidal slip has been studied using micro-pillar compre...
Abstract: The effect of yttrium (Y) on the critical resolved shear stresses (CRSS) of basal slip, {101¯2}⟨1¯011⟩ tension twinning and pyramidal slip has been studied using micro-pillar compre...
21 citations
TL;DR: In this paper, the authors present a fast algorithm for generating Laguerre diagrams with cells of given volumes, which can be used for creating RVEs of polycrystalline materials for computational homogenization, or for fitting Lagué diagrams to EBSD or XRD measurements of metals.
Abstract: We present a fast algorithm for generating Laguerre diagrams with cells of given volumes, which can be used for creating RVEs of polycrystalline materials for computational homogenisation, or for fitting Laguerre diagrams to EBSD or XRD measurements of metals. Given a list of desired cell volumes, we solve a convex optimisation problem to find a Laguerre diagram with cells of these volumes, up to any prescribed tolerance. The algorithm is built on tools from computational geometry and optimal transport theory which, as far as we are aware, have not been applied to microstructure modelling before. We illustrate the speed and accuracy of the algorithm by generating RVEs with user-defined volume distributions with up to 20,000 grains in 3D. We can achieve volume percentage errors of less than 1% in the order of minutes on a standard desktop PC. We also give examples of polydisperse microstructures with bands, clusters and size gradients, and of fitting a Laguerre diagram to 3D EBSD measurements of an IF steel.
19 citations
TL;DR: In this article, molecular dynamics simulations were used to study the atomic mechanisms of deformation of nanocrystalline gold with 2.65-18'nm in grain size to explore the inverse Hall-Petch effect.
Abstract: Molecular dynamics simulations were used to study the atomic mechanisms of deformation of nanocrystalline gold with 2.65–18 nm in grain size to explore the inverse Hall–Petch effect. Based on the m...
19 citations
TL;DR: Recently, Wang et al. as mentioned in this paper reported a new compound, Ti2InB2, a stable boron-based ternary phase in the Ti-In-B system.
Abstract: Recently, Wang et al. [Nat. Commun. 10 (2019) 2284] report a new compound, Ti2InB2, a stable boron-based ternary phase in the Ti-In-B system. This predicted compound is successfully synthesised usi...
18 citations
TL;DR: In this paper, the electronic structure, optical properties and thermoelectric properties of the GeI2 monolayer are calculated by the first principles with the Boltzmann transport equation.
Abstract: In this work, the electronic structure, optical properties and thermoelectric properties of the GeI2 monolayer are calculated by the first principles with the Boltzmann transport equation. The mono...
16 citations
TL;DR: There are two types of pop-in modes that have been widely observed in nanoindentation experiments: the single popin and the successive popin modes as discussed by the authors, and they have been employed in our experiments as well.
Abstract: There are two types of pop-in mode that have been widely observed in nanoindentation experiments: the single pop-in, and the successive pop-in modes. Here we employ the molecular dynamics (MD) mode...
16 citations
TL;DR: The inverse Heusler alloys such as Ti2CoSi, Mn2CoAl and Cr2ZnSi were studied in the framework of density functional theory using FP-LAPW linearised augmented plane wave method as mentioned in this paper.
Abstract: The inverse Heusler alloys such as Ti2CoSi, Mn2CoAl and Cr2ZnSi were studied in the framework of density functional theory using FP-LAPW linearised augmented plane wave method in order to determine...
16 citations
TL;DR: In this paper, the primitive relaxation time τ 0(T,P) of the Coupling Model (CM) and the Johari-Goldstein (JG) β-relaxation time τJG (T, P) are shown approximately equal in many glass-formers.
Abstract: Since 1998 the primitive relaxation time τ 0(T,P) of the Coupling Model (CM) and the Johari-Goldstein (JG) β-relaxation time τJG (T,P) are shown approximately equal in many glass-formers. The CM re...
TL;DR: In this article, the states of a single dopant centre in zinc-blende GaN-based conical quantum dots with spherical cap are theoretically investigated by analytically solving the corresponding effective mass equatio...
Abstract: The states of a single dopant centre in zinc-blende GaN-based conical quantum dots with spherical cap are theoretically investigated by analytically solving the corresponding effective mass equatio...
TL;DR: Using the two-dimensional diagonalization method, the impurity-related electronic states and optical response in a 2D quantum dot with Gaussian confinement potential under nonresonant intense energy was analyzed in this paper.
Abstract: Using the two-dimensional (2D) diagonalisation method, the impurity-related electronic states and optical response in a 2D quantum dot with Gaussian confinement potential under nonresonant intense ...
TL;DR: In this paper, dislocations in piezoelectric materials are studied in the framework of linear incompatible theory of piezelectricity with eigendistortion and eigenelectric field.
Abstract: In this paper, dislocations in piezoelectric materials are studied in the framework of linear incompatible theory of piezoelectricity with eigendistortion and eigenelectric field. We consider that ...
TL;DR: In this article, the edge and surface antiferromagnetic properties of the ABO3 perovskite-type nanoparticle and their components (A, B and O) were investigated through the Effective Field Theory developed by Kaneyos.
Abstract: The edge and surface antiferromagnetic properties of the ABO3 perovskite-type nanoparticle and their components (A, B and O) are investigated through the Effective Field Theory developed by Kaneyos...
TL;DR: In this article, the relative stability of three-dimensional icosahedral quasicrystals in multi-component systems has been investigated based on a phenomenological coupled-mode Swift-Hohenberg model with tw...
Abstract: The relative stability of three-dimensional icosahedral quasicrystals in multi-component systems has been investigated based on a phenomenological coupled-mode Swift-Hohenberg model with tw...
TL;DR: In this article, the authors present their predictions on lithium niobate LiNbO3 concerning its structural, electronics, thermal and optical properties by means of first-principles ca...
Abstract: In this work, we present our predictions on lithium niobate LiNbO3 concerning its structural, electronics, thermal and optical properties. These predictions are done by means of first-principles ca...
TL;DR: In this paper, the microstructure and mechanical properties of Mg-4Y-3Nd-xAl alloys were investigated and the results show that the addition of Al can re...
Abstract: The microstructure and mechanical properties of Mg-4Y-3Nd-xAl (x = 0, 0.6, 0.9, 1.2, 1.5, 2.0%) alloys were investigated in the present work. The results show that the addition of Al can re...
TL;DR: In this article, the electronic, optical and magnetic properties of perovskite oxides PrXO3(X = V, Cr) are calculated by first-principle calculations.
Abstract: Electronic, optical and magnetic properties of perovskite oxides PrXO3(X = V, Cr) are calculated by first-principle calculations. The calculations of electronic band structure and density of states...
TL;DR: Recently, the AlB2-type compounds (such as Alb2 and MgB2) which exhibit Dirac Nodal Line (DNLs) semimetal on their electronic band structure and Phononic Weyl Straight Lines (PTWNLs) on their...
Abstract: Recently, the AlB2-type compounds (such as AlB2 and MgB2) which exhibit Dirac Nodal Line (DNLs) semimetal on their electronic band structure and Phononic Weyl Nodal Straight Lines (PTWNLs) on their...
TL;DR: In this paper, the stored energy and activation energy for recrystallization were investigated for a Cu-Ni-Si alloy after high pressure torsion processing for N 1, 1, 5 and 10 turns at room temperature.
Abstract: The stored energy and activation energy for recrystallization were investigated for a Cu-Ni-Si alloy after high-pressure torsion processing for N = ½, 1, 5 and 10 turns at room temperature....
TL;DR: In this article, the structural, electronic, and dynamical properties of half-Heusler (HH) alloy AlNiP are studied by applying first-principles density functional theory (DFT).
Abstract: In this work, the structural, electronic, and dynamical properties of novel half-Heusler (HH) alloy AlNiP are studied by applying first-principles density functional theory (DFT). The structural pr...
TL;DR: A single-phase fcc high-entropy alloy (HEA) of 20%Cr −40%Fe −20%Mn−20%Ni was irradiated with 1.4 MeV Ar ions at room temperature as discussed by the authors.
Abstract: A single-phase fcc high-entropy alloy (HEA) of 20%Cr–40%Fe–20%Mn–20%Ni composition and its strength with yttrium and zirconium oxides version was irradiated with 1.4 MeV Ar ions at room temperature...
TL;DR: In this article, the isothermal bainite transformation in low-carbon low-alloy steel under direct and step-quenching conditions was investigated under different quantities of prior bainites.
Abstract: The isothermal bainite transformation in low-carbon low-alloy steel under direct and step-quenching conditions have been investigated in the present work. Varying quantities of prior bainite and pr...
TL;DR: In this paper, the effect of external electric field Fext on the low-temperature electron mobility in an asymmetrically doped AlxGa1-xAs based V-shaped double quantum well (VDQW) structure was studied.
Abstract: We study the effect of the external electric field Fext on the low-temperature electron mobility μ in an asymmetrically doped AlxGa1-xAs based V-shaped double quantum well (VDQW) structure....
TL;DR: The size effects exhibited by mechanical metamaterials when loaded may be positive such that reducing overall size towards that of the length scale of the underlying structure intrinsic to the... as mentioned in this paper.
Abstract: Size effects exhibited by mechanical metamaterials when loaded may be positive such that reducing overall size towards that of the length scale of the underlying structure intrinsic to the ...
TL;DR: In this paper, the electronic properties and electron transport of a sawtooth penta-graphene nanoribbon (SSPGNR) under uniaxial strains are theoretically studied by density-functional theory (DFT) in combination with the electron transport model.
Abstract: The electronic properties and electron transport of a sawtooth penta-graphene nanoribbon (SSPGNR) under uniaxial strains are theoretically studied by density-functional theory (DFT) in combination ...
TL;DR: In this article, a detailed derivation of the mode-coupling equations for a colloidal liquid confined by two parallel smooth walls is provided. And irreducible memory kernels for the different relaxation conditions are introduced.
Abstract: We provide a detailed derivation of the mode-coupling equations for a colloidal liquid confined by two parallel smooth walls. We introduce irreducible memory kernels for the different relaxation ch...
TL;DR: In this article, the authors investigated the tensile flow stress response of 304 HCu stainless steel using a dislocation density based model and electron backscatter diffraction (EBSD) studies.
Abstract: Tensile flow stress response of 304 HCu stainless steel is investigated using a dislocation density based model and electron backscatter diffraction (EBSD) studies. The model considers two ...
TL;DR: In this paper, a state-of-the-art ultrafast camera was used to probe the nanosecond pulse laser ablation of a metallic glass target in water, and the laser-induced plasma of metallic glass was captured for the first time.
Abstract: We use a state-of-the-art, ultrafast camera to probe the nanosecond pulse laser ablation of a metallic glass target in water. The laser-induced plasma of metallic glass is captured for the first ti...