Sweep-tracing algorithm: in silico slip crystallography and tension-compression asymmetry in BCC metals

Direct Molecular Dynamics (MD) simulations are being increasingly employed to model dislocation-mediated crystal plasticity with atomic resolution. Thanks to the dislocation extraction algorithm (DXA), dislocation lines can be now accurately detected and positioned in space and their Burgers vector unambiguously identified in silico, while the simulation is being performed. However, DXA extracts static snapshots of dislocation configurations that by themselves present no information on dislocation motion. Referred to as a sweep-tracing algorithm (STA), here we introduce a practical computational method to observe dislocation motion and to accurately quantify its important characteristics such as preferential slip planes (slip crystallography). STA reconnects pairs of successive snapshots extracted by DXA and computes elementary slip facets thus precisely tracing the motion of dislocation segments from one snapshot to the next. As a testbed for our new method, we apply STA to the analysis of dislocation motion in large-scale MD simulations of single crystal plasticity in BCC metals. We observe that, when the crystal is subjected to uniaxial deformation along its [001] axis, dislocation slip predominantly occurs on the {112} maximum resolved shear stress plane under tension, while in compression slip is non-crystallographic (pencil) resulting in asymmetric mechanical response. The marked contrast in the observed slip crystallography is attributed to the twinning/anti-twinning asymmetry of shears in the {112} planes relatively favoring dislocation motion in the twinning sense while hindering dislocations from moving in the anti-twinning directions.

Decoupling the Impacts of Strain Rate and Temperature on TRIP in a Q&P Steel

The individual effects of strain rate and temperature on the strain hardening rate of a quenched and partitioned steel have been examined. During quasistatic tests, resistive heating was used to simulate the deformation-induced heating that occurs during high-strain-rate deformation, while the deformation-induced martensitic transformation was tracked by a combination of x-ray and electron backscatter diffraction. Unique work hardening rates under various thermal–mechanical conditions are discussed, based on the balance between the concurrent dislocation slip and transformation-induced plasticity deformation mechanisms. The diffraction and strain hardening data suggest that the imposed strain rate and temperature exhibited dissonant influences on the martensitic phase transformation. Increasing the strain rate appeared to enhance the martensitic transformation, while increasing the temperature suppressed the martensitic transformation.

Nanotwin orientation on history-dependent stress decay in Cu nanopillar under constant strain

Cu with nanotwin (NT) possesses great electrical, mechanical, and thermal properties and has potential for electronic applications. Various studies have reported the effect of NT orientation on Cu mechanical properties. However, its effect on Cu stress-relaxation behavior has not been clarified, particularly in nano-scale. In this study, Cu nanopillars with various orientations were examined by a picoindenter under constant strain and observed by in-situ TEM. The angles between the twin plane and the loading direction in the examined nanopillars were 0°, 60°, to 90°, and a benchmark pillar of single-crystal Cu without NT was examined. The stress drops were respectively 10%, 80%, 4%, and 50%. Owing to the interaction by NT, the dislocation behavior in nanopillars was different from that in bulk or in thin film samples. Especially, the rapid slip path of dislocations to go to the free surface of the nanopillar induced a dislocation-free zone in the 0° nanopillar, which led to work-softening. On the contrary, a high dislocation density was observed in the 90° nanopillar, which was generated by dislocation interaction and obstruction of dislocation slip by twin planes, and it led to work-hardening. The findings reveal the NT orientation in Cu nanopillars affected stress relaxation significantly.

Change of Acoustic Emission Characteristics during Temperature Induced Transition from Twinning to Dislocation Slip under Compression in Polycrystalline SN

In this study, acoustic emission (AE) measurements on polycrystalline tin as a function of temperature at different driving rates under compression were carried out. It is shown that there is a definite difference between the acoustic emission characteristics belonging to twinning (low temperatures) as well as to dislocation slip (high temperatures). The stress averaged values of the exponents of the energy probability density functions decreased from = 1.45 ± 0.05 (−60 °C) to = 1.20 ± 0.15 (50 °C) at a driving rate of , and the total acoustic energy decreased by three orders of magnitude with increasing temperature. In addition, the exponent γ in the scaling relation SAE~DAEγ (SAE is the area and DAEis the duration) also shows similar temperature dependence (changing from γ = 1.78 ± 0.08 to γ = 1.35 ± 0.05), illustrating that the avalanche statistics belong to two different microscopic deformation mechanisms. The power law scaling relations were also analyzed, taking into account that the detected signal is always the convolution of the source signal and the transfer function of the system. It was obtained that approximate values of the power exponents can be obtained from the parts of the above functions, belonging to large values of parameters. At short duration times, the attenuation effect of the AE detection system dominates the time dependence, from which the characteristic attenuation time, τa, was determined as τa≅ 70 μs.

Characterization of Structural Defects in (Cd,Zn)Te Crystals Grown by the Travelling Heater Method

Structural defects and compositional uniformity remain the major problems affecting the performance of (Cd, Zn)Te (CZT) based detector devices. Understanding the mechanism of growth and defect formation is therefore fundamental to improving the crystal quality. In this frame, space experiments for the growth of CZT by the Travelling Heater Method (THM) under microgravity are scheduled. A detailed ground-based program was performed to determine experimental parameters and three CZT crystals were grown by the THM. The structural defects, compositional homogeneity and resistivity of these ground-based crystals were investigated. A ZnTe content variation was observed at the growth interface and a high degree of stress associated with extensive dislocation networks was induced, which propagated into the grown crystal region according to the birefringence and X-ray White Beam Topography (XWBT) results. By adjusting the growth parameters, the ZnTe variations and the resulting stress were efficiently reduced. In addition, it was revealed that large inclusions and grain boundaries can generate a high degree of stress, leading to the formation of dislocation slip bands and subgrain boundaries. The dominant defects, including grain boundaries, dislocation networks and cracks in the interior of crystals, led to the resistivity variation in the crystals. The bulk resistivity of the as-grown crystals ranged from 109 Ωcm to 1010 Ωcm.

Complex Structural Effects in Deformed High-Manganese Steel

The research presented in this paper is part of a larger project concerning deformation behavior, microstructure and mechanical properties of high-manganese steels with different chemical compositions and processed under various conditions. The current investigation deals with the development of microstructure and crystallographic texture of Fe-21.2Mn-2.73Al-2.99Si steel deformed in tension until fracture at ambient temperature. The deformation process of the examined steel turned out to be complex and included not only dislocation slip and twinning but also strain induced phase transformations (g ® e) and (g ® a′). The formation of e-martensite with hexagonal structure was observed within the microstructure of the steel starting from the range of lower strains. With increasing deformation degree, the a′-martensite showing a cubic structure gradually began to form. Attempts have been made to explain the circumstances or conditions for the occurrence of the deformation mechanisms mentioned above and their impact on the mechanical properties. The obtained results indicate that the strength and plastic properties of the steel substantially exceed those of plain carbon steels. Since both, mechanical twinning and the strain-induced phase transformations took place during deformation, it seems that both types of deformation mechanisms contributed to an increase in the mechanical properties of the examined manganese steel.

Molecular Dynamics Simulations of the Tensile Mechanical Responses of Selective Laser-Melted Aluminum with Different Crystalline Forms

The mechanical deformation of cellular structures in the selective laser melting (SLM) of aluminum was investigated by performing a series of molecular dynamics (MD) simulations of uniaxial tension tests. The effects of crystalline form, temperature, and grain orientation of columnar grains on the mechanical properties of SLM aluminum were examined. The MD results showed that the tensile strength of SLM aluminum with columnar grains at different temperatures was lower than that of single-crystal aluminum, but greater than that of aluminum with equiaxed grains. The tensile strength and Young’s modulus both decreased approximately linearly upon increasing the temperature. The deformation mechanisms of equiaxed and columnar grains included dislocation slip, grain boundary migration, and torsion, while the deformation mechanisms of single crystals included stacking fault formation and amorphization. Finally, the influence of the columnar grain orientation on the mechanical properties was studied, and it was found that the Young’s modulus was almost independent of the grain orientation. The tensile strength was greatly affected by the columnar grain orientation. Reasonable control of the grain orientation can improve the tensile strength of SLM aluminum.

Improving Mechanical Property and Microstucture Evolution of 7075 Aluminum Panel Formed by Unequal Alternate Double-sided Laser Shock Forming

With thrust weight ratio increasing, integral panel is an important component to reduce the aircraft weight, and it is a great challenges to ensure the forming accuracy and mechanical property in the lager-scale panel. Laser shock forming has a great development prospect in achieving integral panel forming and improving its mechanical properties. This work investigated unequal alternate double-sided laser shock forming, which can make 7075 aluminum panel form and induce harden layer in both panel sides. The improvement in mechanical properties and microstucture evolution of 7074 aluminum panel were analyzed after unequal alternate double-sided laser shock forming. The residual stress and microhardness in surface and subsurface were verified to be enhanced by the laser shock wave. The results of XRD and EBSD provided an evidence of grain refinement. The strengthening mechanism of unequal alternate double-sided laser shock forming was analyzed in this work. The grains are distorted and refined during high strain rate plastic deformation due to dislocation slip and accumulation. The mechanical properties were enhanced by unequal alternate double-sided laser shock forming for harden layers in both panel sides. The harden layers and grain refinement has a great significance in inhibiting the crack generation and growth.