相关论文: Designing transformation-induced plasticity and tw…
Plasticity in body-centered cubic (BCC) nanocrystals is often associated with twin nucleation phenomena under extreme loading conditions. Here, we reveal unconventional twinning pathways that operate at the intersection of crystal…
Metallic materials, especially steel, underpin transportation technologies. High-manganese twinning induced plasticity (TWIP) austenitic steels exhibit exceptional strength and ductility from twins, low-energy microstructural defects that…
Twinning induced plasticity (TWIP) steels are high strength metallic materials with potential for structural components in e.g. automotive applications. However, they are prone to hydrogen embrittlement (HE) and galvanic corrosion. We…
High-entropy alloys (HEAs) stand out between multi-component alloys due to their attractive microstructures and mechanical properties. In this investigation, molecular dynamics (MD) simulation and machine learning were used to ascertain the…
Cobalt-free high-entropy alloys (HEAs) have garnered interest for nuclear structural applications due to their good mechanical performance, thermal stability, and resistance to radiation-induced degradation, while avoiding long-lived Co…
We present a first--principles density functional theory (DFT) study of transition metal (TM = Ti, Cr, Mn, Fe, Co, Ni) functionalized two--dimensional polyaramid (2DPA) to explore their structural, electronic, and magnetic properties.…
Multi-principal element alloys open large composition spaces for alloy development. The large compositional space necessitates rapid synthesis and characterization to identify promising materials, as well as predictive strategies for alloy…
The outstanding mechanical properties of high-manganese steels (HMnS) are a result of their high strain-hardenability. That is facilitated by strong suppression of dynamic recovery, predominant planar glide, and the activation of additional…
The mechanical properties and microstructural evolution of a medium-entropy alloy Co$_{17.5}$Cr$_{12.5}$Fe$_{55}$Ni$_{10}$Mo$_{5}$ (at%) in a low temperature range (including the record low temperatures region down to 0.5 K) were…
The CrMnFeCoNi high-entropy alloy is highly printable and holds great potential for structural applications. However, no significant discussions on cyclic plasticity and fatigue damage in previous studies. This study provides significant…
We present an ab-initio-based effective interaction model (EIM) for the study of magnetism, thermodynamics, and their interplay in body-centered cubic Fe-Co alloys, with Co content from 0 to 70%. The model includes explicitly both spin and…
My scientific activities aim at understand and predict the mechanical behaviour of steels, from fundamental mechanisms to macroscopic deformation. This manuscript is dedicated to the TWIP effect (TWinning Induced Plasticity) of high…
Contrary to prior calculations, the Ni-rich ordered structures of the Cr-Ni alloy system are found to be antiferromagnetic under semi-local density-functional theory. The optimization of local magnetic moments significantly increases the…
The vastness of the space of possible multicomponent metal alloys is hoped to provide improved structural materials but also challenges traditional, low-throughput materials design efforts. Computational screening could narrow this search…
A Twinning Induced Plasticity (TWIP) steel with a nominal composition of Fe-16.4Mn-0.9C-0.5Si-0.05Nb-0.05V was deformed to an engineering strain of 6\%. The strain around the deformation twins were mapped using the 4D-STEM technique. Strain…
Properties of hcp-Ti such as elastic constants, stacking faults and gamma-surfaces are computed using Density Functional Theory (DFT) and two central force Embedded Atom interaction Models (EAM). The results are compared to previously…
Deformation plasticity mechanisms in alloys and compounds may unveil the material capacity towards optimal mechanical properties. We conduct a series of molecular dynamics (MD) simulations to investigate plasticity mechanisms due to…
Magnesium (Mg) and its alloys hold great potential as an energy-saving structural material for automative, aerospace applications. However, the use of Mg alloys has been limited due to poor ductility and formability. Poor mechanical…
Phase diagrams supported by density functional theory methods can be crucial for designing high-entropy alloys that are subset of multi-principal$-$element alloys. We present phase and property analysis of quinary…
Refractory complex concentrated alloys (RCCA) exhibit exceptional strength and thermal stability, yet their plastic deformation mechanisms under complex contact loading remain insufficiently understood. Here, the nanoindentation response of…