Xiao‐Gang Lu
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View article: Optimization of cut‐hole layout under high in situ stress based on numerical simulation and field tests
Optimization of cut‐hole layout under high in situ stress based on numerical simulation and field tests Open
A well‐designed cut‐hole layout is crucial for improving drilling and blasting efficiency in deep underground engineering. For this purpose, this study investigates the patterns of blast‐induced rock damage under various cut‐hole layouts a…
View article: Design of advanced steels by integrated computational materials engineering
Design of advanced steels by integrated computational materials engineering Open
The integrated computational materials engineering (ICME) has achieved great success in accelerating the rational design and deployment of new materials. It is a new route of designing new materials and processes and highlighted by Materia…
View article: Experimental Investigation of Phase Equilibria in the Ti-Cr-V System at 1000–1200 °C
Experimental Investigation of Phase Equilibria in the Ti-Cr-V System at 1000–1200 °C Open
Ti-Cr-V-based alloys have been utilized across various domains, including aerospace structural and functional materials and hydrogen storage materials. Investigating the phase relations in the Ti-Cr-V system is significant in supporting th…
View article: Phase-Field Crystal Studies on Grain Boundary Migration, Dislocation Behaviors, and Topological Transition under Tension of Square Polycrystals
Phase-Field Crystal Studies on Grain Boundary Migration, Dislocation Behaviors, and Topological Transition under Tension of Square Polycrystals Open
In this paper, the tensile deformation behaviors of polycrystals after relaxation were studied using the phase-field-crystal (PFC) method. Here, the free energy density map characterized the 2D energy distribution of atomic configuration e…
View article: Microscopic Phase-Field Simulation of γ′ Precipitation in Ni-Based Binary Alloys Coupled with CALPHAD Method
Microscopic Phase-Field Simulation of γ′ Precipitation in Ni-Based Binary Alloys Coupled with CALPHAD Method Open
In the present work, the first (1st) and second (2nd) nearest-neighbor interaction energies are calculated by coupling the microscopic phase-field kinetic model with the calculation of phase diagrams (CALPHAD) method. The morphological evo…
View article: Phase field crystal simulation of strain-induced square phase low-angle symmetric tilt grain boundary dislocation reaction
Phase field crystal simulation of strain-induced square phase low-angle symmetric tilt grain boundary dislocation reaction Open
In this paper, the phase field crystal method is used to study the dislocation motion and reaction of the square phase symmetric tilt low-angle grain boundaries, and the dislocation configurations with different misorientation angles are a…
View article: A thermodynamic database of the Ni-Mo-Re system
A thermodynamic database of the Ni-Mo-Re system Open
Thermodynamic databases are essential prerequisites for developing advanced materials, such as Ni-based superalloys. The present work collects a large amount of experimental and first-principles calculation data concerning the thermodynami…
View article: Influences of Multicenter Bonding and Interstitial Elements on Twinned γ-TiAl Crystal
Influences of Multicenter Bonding and Interstitial Elements on Twinned γ-TiAl Crystal Open
The bonding properties of the twin boundary in polysynthetic twinned γ-TiAl crystal and the effect of interstitial alloy elements on it are investigated by first principles. Among the three different kinds of interface relationships in the…
View article: A CALPHAD Helmholtz Energy Approach to Assess the Thermodynamic and Thermophysical Properties of fcc Ag
A CALPHAD Helmholtz Energy Approach to Assess the Thermodynamic and Thermophysical Properties of fcc Ag Open
In this paper, the CALPHAD Helmholtz energy approach, based on the Debye-Grüneisen model, has been used to calculate the thermodynamic and thermophysical properties of fcc Ag (Silver).Through this approach, thermodynamic properties, e.g.he…
View article: Thermodynamic modeling of Cr–Nb and Zr–Cr with extension to the ternary Zr–Nb–Cr system
Thermodynamic modeling of Cr–Nb and Zr–Cr with extension to the ternary Zr–Nb–Cr system Open
The total energies of Laves phases in the Cr–Nb and Zr–Cr systems have been calculated by the pseudo-potential VASP code with a full relaxation of all structural parameters. The special quasirandom structures (SQSs) have been constructed a…
View article: Establishment of the Elastic Property Database of Fe-base Alloys
Establishment of the Elastic Property Database of Fe-base Alloys Open
The elastic properties, including bulk modulus and Young's modulus, for the bcc and fcc phases of Fe-base alloys have been studied at room temperature and atmospheric pressure.The temperature dependence of the elastic properties of the ele…