Cubic crystal system
View article: First-principles investigation of novel cubic allotrope C16 with original C(sp3)/C(sp1) hybridizations
First-principles investigation of novel cubic allotrope C16 with original C(sp3)/C(sp1) hybridizations Open
Novel cubic allotrope yne-C16 with sp3/sp1 carbon hybridizations is devised based on crystal chemistry and computations of the ground structure and the energy-dependent quantities within the quantum density functional theory, DFT. With res…
View article: Finite-temperature stability of skyrmion crystals in frustrated magnets: Role of sixfold anisotropy and uniform spin mode in momentum space
Finite-temperature stability of skyrmion crystals in frustrated magnets: Role of sixfold anisotropy and uniform spin mode in momentum space Open
We study the finite-temperature stability of skyrmion crystals in frustrated magnets by analyzing the momentum-space exchange interaction of a classical Heisenberg model on a triangular lattice. Our analysis identifies two key momentum-spa…
View article: Sublattice specificity of magnetization and enthalpy of mixing (ΔHmix) in (Fe, Ni)3P solid solutions revealed by first-principles calculations
Sublattice specificity of magnetization and enthalpy of mixing (ΔHmix) in (Fe, Ni)3P solid solutions revealed by first-principles calculations Open
As a transition-metal phosphide and source of reactive phosphorus, the Fe-phosphide schreibersite (Fe, Ni)3P is critical to the Earth, planetary, and materials-science communities. However, the thermodynamic properties of schreibersite as …
View article: Thermal Annealing–Driven Anisotropy and Magnetocaloric Response in Nanoscale Copper Ferrite
Thermal Annealing–Driven Anisotropy and Magnetocaloric Response in Nanoscale Copper Ferrite Open
This work investigates the effect of annealing temperature on the structural, magnetic, and magnetocaloric properties of nanosized copper ferrite (CuFe2O4) synthesized via the sol–gel auto-combustion method. Rietveld refinement confirmed t…
View article: Quadratic and Cubic Magneto-optic Kerr Effect in Thin Films Depending on Structural Domain Twinning and Crystal Orientation
Quadratic and Cubic Magneto-optic Kerr Effect in Thin Films Depending on Structural Domain Twinning and Crystal Orientation Open
View article: Quadratic and Cubic Magneto-optic Kerr Effect in Thin Films Depending on Structural Domain Twinning and Crystal Orientation
Quadratic and Cubic Magneto-optic Kerr Effect in Thin Films Depending on Structural Domain Twinning and Crystal Orientation Open
View article: Dynamic structure factor of a monatomic cubic crystal
Dynamic structure factor of a monatomic cubic crystal Open
The spectral function of density fluctuations, also known as the dynamic structure factor, of a monatomic cubic crystal with vacancies is derived from the macroscopic equations describing transport in crystalline solids. The resonances of …
View article: Dynamic structure factor of a monatomic cubic crystal
Dynamic structure factor of a monatomic cubic crystal Open
The spectral function of density fluctuations, also known as the dynamic structure factor, of a monatomic cubic crystal with vacancies is derived from the macroscopic equations describing transport in crystalline solids. The resonances of …
View article: Effect of yield locus exponent on draw-in prediction during deep drawing of commercially pure titanium
Effect of yield locus exponent on draw-in prediction during deep drawing of commercially pure titanium Open
View article: Search for XNCD in cubic chiral crystals
Search for XNCD in cubic chiral crystals Open
XNCD signal in cubic crystals can only be observed via E2.M2 channel. It has never been measured experimentally.
View article: Construction of cubic nonlinear lattice free from umklapp processes
Construction of cubic nonlinear lattice free from umklapp processes Open
We propose a novel type of umklapp-free lattice (UFL), where umklapp processes are completely absent. The proposed UFL incorporates cubic long-range nonlinearity, a feature not addressed in previous studies. In this paper, we derive an ana…
View article: Shear strength of a refractory high entropy alloy MoNbTaVW under high pressure
Shear strength of a refractory high entropy alloy MoNbTaVW under high pressure Open
Radial X-ray diffraction (R-XRD) was performed in situ using a Panoramic Diamond Anvil Cell on the refractory high entropy alloy MoNbTaVW. The lattice parameters were determined through a Le Bail fit using a body centered cubic (BCC) latti…
View article: Exact lattice summations for Lennard-Jones potentials coupled to a three-body Axilrod–Teller–Muto term applied to cuboidal phase transitions
Exact lattice summations for Lennard-Jones potentials coupled to a three-body Axilrod–Teller–Muto term applied to cuboidal phase transitions Open
Three-body interactions have long been conjectured to play a crucial role in the stability of matter. However, rigorous studies have been scarce due to the computational challenge of evaluating small energy differences in high-dimensional …
View article: Mechanical properties of body centered cubic based lattice structures with varying aspect ratio in the loading direction
Mechanical properties of body centered cubic based lattice structures with varying aspect ratio in the loading direction Open
View article: Bifurcation of limit cycles from a cubic reversible isochrone
Bifurcation of limit cycles from a cubic reversible isochrone Open
For the polynomial differential system ˙ x = −y + Chavarriga and García proved that when certain parameters of the system satisfy specific conditions, the origin is an isochronous center if and only if the system can be transformed into on…
View article: Work-Hardening Phenomena in Face-Centered Cubic Metal Crystals
Work-Hardening Phenomena in Face-Centered Cubic Metal Crystals Open
View article: Ultra-grain-refinement of face-centered cubic high/medium-entropy alloys: Approaching the limit of grain refinement through severe plastic deformation and recrystallization
Ultra-grain-refinement of face-centered cubic high/medium-entropy alloys: Approaching the limit of grain refinement through severe plastic deformation and recrystallization Open
Face-centered cubic (FCC) high- and medium-entropy alloys (HEAs/MEAs) develop fully recrystallized ultrafine-grained (FRex-UFG) microstructures after simple deformation and annealing processes. However, the mechanistic origins remain uncle…
View article: Low‐Temperature Thermochemical Treatments of Face‐Centered Cubic Alloys: New Perspectives for Expanded Austenite From Austenitic Stainless Steels to High‐Entropy Alloys
Low‐Temperature Thermochemical Treatments of Face‐Centered Cubic Alloys: New Perspectives for Expanded Austenite From Austenitic Stainless Steels to High‐Entropy Alloys Open
Thermochemical treatments performed at low temperatures (< ∼500°C) have received increasing interest for the surface modification of austenitic stainless steels. In fact, when treatment media rich in nitrogen and/or carbon are used at thes…
View article: Machine Learning Potential Analysis of Structural Transition in Cu and Ag Nanoparticles: From Icosahedral to Face-Centered Cubic
Machine Learning Potential Analysis of Structural Transition in Cu and Ag Nanoparticles: From Icosahedral to Face-Centered Cubic Open
A highly accurate high-dimensional neural network potential (HDNNP), trained using more than 180,000 DFT-calculated structures, is used to investigate the structure or realistic Cu-Ag bimetallic particles, as this is the dominant species d…
View article: Mitigating proton trapping in cubic perovskite oxides via ScO6 octahedral networks
Mitigating proton trapping in cubic perovskite oxides via ScO6 octahedral networks Open
Advances in electrochemical devices have been primarily driven by the discovery and development of electrolyte materials. Yet the development of high-performance and chemically stable proton-conducting oxide electrolytes remains a challeng…
View article: Investigation of the half-metallic properties of cubic perovskites RCoO3 (R=Pr and Nd): A DFT perspective
Investigation of the half-metallic properties of cubic perovskites RCoO3 (R=Pr and Nd): A DFT perspective Open
The structural, electronic, and magnetic properties of cubic perovskite compounds RCoO₃ (R = Pr and Nd) are studied using the full-potential linearized augmented plane wave (FPLAPW) method based on density functional theory (DFT). The phon…
View article: Kinetic pathways of solid–solid phase transitions dictated by short-range interactions
Kinetic pathways of solid–solid phase transitions dictated by short-range interactions Open
Structural phase transformations allow us to design materials from the ground up. Predicting the structural transformation of crystals during solid–solid phase transitions, however, is challenging, as the transition can proceed through mul…
View article: Enhancing dislocation strengthening in face-centered cubic high-entropy alloys through interstitial nitrogen
Enhancing dislocation strengthening in face-centered cubic high-entropy alloys through interstitial nitrogen Open
View article: DFT insights into stress-induced impact on the fundamental properties of SnPbO3 cubic Perovskite oxides for advanced optoelectronic devices
DFT insights into stress-induced impact on the fundamental properties of SnPbO3 cubic Perovskite oxides for advanced optoelectronic devices Open
Inorganic lead-based perovskite oxides have been widely studied in diverse fields because of their extreme structural flexibility and optimization. In this study, geometrical, electronic, optical, mechanical, thermodynamic, phonon density …
View article: Electrochemical reduction‐induced phase transformation and lattice modification in cubic zirconia (8YSZ)
Electrochemical reduction‐induced phase transformation and lattice modification in cubic zirconia (8YSZ) Open
This study investigates the effects of electrical loading on cubic 8YSZ (8 mol% yttria‐stabilized zirconia) under different atmospheric conditions with a focus on electrical and structural changes, lattice modifications, and the formation …
View article: Influence of vanadium carbides and stacking fault energy on the low-cycle fatigue behavior of a face-centered cubic multi-principal element alloy
Influence of vanadium carbides and stacking fault energy on the low-cycle fatigue behavior of a face-centered cubic multi-principal element alloy Open
View article: Deformation twinning in non-oriented Fe-3wt. %Si alloy of body-centered-cubic structure under cyclic loading
Deformation twinning in non-oriented Fe-3wt. %Si alloy of body-centered-cubic structure under cyclic loading Open
View article: High temperature oxidation protection in body-centered cubic superalloys
High temperature oxidation protection in body-centered cubic superalloys Open
View article: Publisher Correction: A review of body-centered cubic-structured alloys for hydrogen storage: composition, structure, and properties
Publisher Correction: A review of body-centered cubic-structured alloys for hydrogen storage: composition, structure, and properties Open
View article: Characterization of Cubic and Monoclinic Phases in Ball-Milled Nanocrystalline-Y2O3 Using Experimental and Simulated Oxygen K-Edge Positions in STEM-EELS
Characterization of Cubic and Monoclinic Phases in Ball-Milled Nanocrystalline-Y2O3 Using Experimental and Simulated Oxygen K-Edge Positions in STEM-EELS Open
Yttria (Y 2 O 3 ) is a refractory ceramic of great technological importance. The material with a stable cubic crystal structure transforms into a monoclinic phase when ball-milled under specific conditions. The synthesis methodology can be…