相关论文: Exploring Solute Behavior and Texture Selection in…
We present quantum-based simulations of single grain boundary reflectivity of electrons in metals, Cu and Ag. We examine twin and non-twin grain boundaries using non-equilibrium Green's function and first principles methods. We also…
Interfacial nucleation is the dominant process of dislocation generation during the plastic deformation of nano-crystalline materials. Solute additions intended to stabilize nano-crystalline metals against grain growth, may segregate to the…
Solid-solution strengthening results from solutes impeding the glide of dislocations. Existing theories of strength rely on solute-dislocation interactions, but do not consider dislocation core structures, which need an accurate treatment…
Diffusion of atoms in solids is one of the most fundamental kinetic processes that ultimately governs many materials properties. Here, we report on a combined first-principles and kinetic Monte Carlo study of macroscopic diffusion…
The results of the synthesis and characterization of the optimally doped (La)1.4(Sr1-yCay)1.6Mn2O7 solid solution with y=0, 0.25 and 0.5 are reported. By progressively replacing the Sr with the smaller Ca, while keeping fixed the…
Precipitation on deformation defects is essential for enhancing mechanical properties of age-hardenable alloys. {10-12} twinning is common in deformed alloys with hexagonal-close-packed structure. In this work, we revealed how {10-12} twin…
In this paper we report phonon dynamics in chemically synthesized Zn1- xMgxO (0\leqx\leq0.07) and Zn1-yCdyO (0\leqy\leq0.03) alloy nanostructures of sizes ~10 nm using non-resonant Raman and Fourier Transformed Infrared Spectroscopy (FTIR).…
Light elements play an important role in influencing the macroscale properties of engineering alloys through grain boundary (GB) segregation phenomena. However, the scarcity and scattered nature of ab initio datasets for light elements in…
An age-hardenable Al-Cu-Mg alloy (A2024) was processed by high-pressure torsion (HPT) for producing an ultrafine-grained structure. The alloy was further aged for extra strengthening. The tensile strength then reached a value as high as ~1…
With the rapid development of artificial intelligence, the combination of material database and machine learning has driven the progress of material informatics. Because aluminum alloy is widely used in many fields, so it is significant to…
The effect of Al atoms in solid solution on the critical resolved shear stress for twin nucleation and growth was analyzed by means of the combination of diffusion couples with compression tests in micropillars oriented for twinning. The…
The details of the temper embrittlement mechanism in steels caused by impurities are unknown. Especially from an atomistic point of view, there are still open questions regarding their interactions with alloying elements such as Ni, Cr, and…
Room temperature solute clustering in aluminium alloys, or natural ageing, despite its industrial relevance, is still subject to debate, mostly due to its experimentally challenging nature. To better understand the complex…
Copper-silver (CuAg) alloys are increasingly explored for applications in high-performance electrical and electronic systems, owing to their unique combination of high electrical and thermal conductivity and enhanced mechanical strength.…
The accumulation of helium bubbles at grain boundaries (GBs) critically degrades the mechanical integrity of structural materials in nuclear reactors. While GBs act as sinks for radiation-induced defects, their inherent structural…
Molecular dynamics simulations were used to quantify mechanically-induced structural evolution in nanocrystalline Al with an average grain size of 5 nm. A polycrystalline sample was cyclically strained at different temperatures, while a…
Deformation heterogeneities within microstructures of polycrystalline shape memory alloys (SMAs) during superelastic stressing are studied using both experiments and simulations. In situ X-ray diffraction, specifically the far-field high…
Solute trapping is an important phenomenon in rapid solidification of alloys, for which the continuous growth model (CGM) is a popular sharp interface theory. Using matched asymptotic analysis, we show how to quantitatively map the sharp…
We investigate thermodynamic behaviors of dilute Mg-Zn-Y ternary alloys to form a unique solute-enriched stacking-fault (SESF), which is an intrinsic-II type stacking-fault (I2-SF) enriched by the Zn and Y atoms and represents the…
Compositionally complex materials (CCMs) present a potential paradigm shift in the design of magnetic materials. These alloys exhibit long-range structural order coupled with limited or no chemical order. As a result, extreme local…