Plastic Deformation Of Crystals Research Articles

Study on the influence of rolling process parameters on the microscopic plastic deformation of nickel-based superalloy single crystal at atomic scale

Nickel-based superalloy workpieces strengthened by rolling process are widely used in the aviation field. However, there remains a need for further investigation into the influence of rolling parameters on the micro-plastic deformation of nickel-based superalloys. In this study, we establish micro-rolling and analysis models to investigate the impact of rolling parameters on nickel-based superalloy single crystals. We delve into the micro-effects of rolling depth, rolling speed, roller rotation speed, and roller radius. The micro-analysis model elucidates the influence mechanism of rolling parameters on nickel-based superalloy single crystals. The research methods and findings offer a novel microscopic perspective and approach for studying the strengthening of nickel-based superalloys through rolling. Additionally, they provide a microscopic theoretical foundation for optimizing rolling parameters.

Analysis of the temperature-dependent plastic deformation of single crystals of quinary, quaternary and ternary equiatomic high- and medium-entropy alloys of the Cr-mn-fe-co-ni system

ABSTRACT Temperature-dependent plastic deformation behaviors of single crystals of quaternary and ternary equiatomic medium-entropy alloys (MEAs) belonging to the Cr-Mn-Fe-Co-Ni system were investigated in compression at temperatures in the range 9 K to 1373 K. Their critical resolved shear stresses (CRSSs) increase with decreasing temperature below room temperature. There is also a dulling of the temperature dependence of CRSS below 77 K due to dislocation inertial effects that we attribute to a decrease in the phonon drag coefficient. These behaviors were compared with those of previously investigated single crystals of the equiatomic Cr-Co-Ni and Cr-Fe-Co-Ni MEAs, and the equiatomic Cr-Mn-Fe-Co-Ni high-entropy alloy (HEA). The temperature dependence of CRSS and the apparent activation volumes below room temperature can be well described by conventional thermal activation theories of face-centered cubic (FCC) alloys. Above 673 K, there is a small increase in CRSS, which we believe is due to elastic interactions between solutes and mobile dislocations, the so-called Portevin-Le Chatelier (PL) effect. The CRSS at 0 K was obtained by extrapolation of fitted CRSS vs. temperature curves and compared with predictions from solid solution strengthening models of HEA and MEAs.

Impact origin of lunar zircon melt inclusions in Apollo impact melt breccia 14311

AbstractInvestigations of trapped melt inclusions in minerals can yield insights into the compositions and conditions of parent magmas. These insights are particularly important for detrital grains like many of the lunar zircons found in samples returned by the Apollo missions. However, unlike their terrestrial counterparts, lunar zircons have potentially been exposed to billions of years of impact bombardment. Samples from terrestrial impact structures and impact shock experiments have revealed that deformation during an impact event produces melt and glass blebs that can mimic igneous melt inclusions in both morphology and composition. We have undertaken a geochemical and textural investigation of zircons from Apollo impact melt breccia 14311 to assess their formation mechanisms. The association of trapped melts with shock microtwins and monomineralic melt compositions suggests some inclusions formed as a result of the high pressures and temperatures of impact shock. All other inclusions in this study are associated with curviplanar features, planar features, crystal plastic deformation, or embayments (large regions in contact with adjacent melts or minerals) suggesting that they are not igneous melt inclusions. While these textures can be produced in tectonic environments, impacts are a likely formation mechanism since impacts are the main driver of tectonics on the Moon. The results of this study demonstrate that a combination of textural and compositional analyses can be employed distinguish between igneous melt inclusions and melt blebs in zircons from impact environments.

Surface roughness evolution and heterogeneous plastic deformation of austenitic stainless steel during micro deep drawing: Modeling and experiment

The present work involves the numerical simulation and experimental study on the surface roughness evolution and heterogeneous plastic deformation (strain localization and concomitant surface morphology evolution) in grain scale of micro deep drawn parts of austenitic stainless steel (ASS) 304 foils. A three-dimensional modeling framework was used to simulate the micro deep drawing (MDD) process. The simulation involved the development of a Voronoi-based polycrystalline geometry model (VPGM), a multi-stress-strain response model, and a crystal plasticity finite element methods (CPFEM) model. The results indicate that CPFEM model exhibits higher accuracy in the localized stress and strain, thickness distribution fluctuation and surface roughness evolution of the fabricated parts compared to multi-stress-strain response model. Therefore, the plastic deformation heterogeneity in MDD is in-depth discussed based on CPFEM model. The results show that the coarse-grained foils correspond to the intense strain localization, which is the main cause of surface roughening. Considering the average grain size is close to the thickness of ASS foils, mounding features on the rough surface may readily develop further into potentially fractured sites during deformation. On the other hand, crystal orientation influence plastic deformation by affecting the slip behavior of materials. The effect of crystal orientations including {011} 〈211〉 (Brass), {011} 〈100〉 (Goss), and {112} 〈110〉 components on deformation is discussed. The results indicate a strong correlation between the magnitude of the Schmid's factor and the ease of deformation. Additionally, variations in Schmid's factor across different directions result in differences in deformation accumulation, which affects the thickness distribution along the radial direction and the distribution of earrings and wrinkles along the circumferential direction of the fabricated micro parts.

Enhanced mobility of dislocation network nodes and its effect on dislocation multiplication and strain hardening

Understanding plastic deformation of crystals in terms of the fundamental physics of dislocations has remained a grand challenge in materials science for decades. To overcome this, the Discrete Dislocation Dynamics (DDD) method has been developed, but its lack of atomistic resolution leaves open the possibility that certain key mechanisms may be overlooked. By comparing large-scale Molecular Dynamics (MD) with DDD simulations performed under identical conditions we uncover significant discrepancies in the predicted strength and microstructure evolution in BCC crystals under high-strain rate conditions. These are traced to unexpected behaviors of dislocation network nodes forming at dislocation intersections, that can move in ways not previously anticipated as revealed by MD. Once these newfound freedoms of nodal motion are incorporated, DDD simulations begin to closely match plastic evolution observed in MD. This additional mechanism of motion whereby non-screw dislocations can change their glide plane profoundly affects fundamental processes of dislocation multiplication, recovery and storage that define strength of metals.

Ultramafic Rocks from the Sanbagawa Belt: Records of Mantle Wedge Processes

Mantle wedge domains beneath the forearc Moho are unique regions of Earth’s interior where mantle encounters subducting oceanic plates. Crystal-plastic deformation and fluid-induced reactions in the supra-subduction mantle control global material circulation, arc volcanism, and seismicity within subduction zones. The Sanbagawa metamorphic belt contains numerous ultramafic blocks in its higher-grade zones, some of which likely originated as lower crustal arc cumulates that were subsequently incorporated into the mantle wedge and transported to the slab–mantle interface by mantle flow. Properties of these ultramafic rocks provide a valuable opportunity to understand the dynamic processes of the mantle wedge up to 80 km depth, including mantle flow, hydration/dehydration, and fluid–rock interactions near the slab–mantle interface of a warm subduction zone.

Experimental Insights Into Fault Reactivation and Stability of Carrara Marble Across the Brittle–Ductile Transition

AbstractLittle is known about the impact of pressure (P) and temperature (T) on faulting behavior and the transition to fault locking under high P–T conditions. Using a Paterson gas‐medium apparatus, triaxial compression experiments were conducted on Carrara marble (CM) samples containing a saw‐cut interface at ∼40° to the vertical axis at a constant axial strain rate of ∼1 × 10−5 s−1, P = 30–150 MPa and T = 20–600°C. Depending on the P–T conditions, we observed the complete spectrum of deformation behavior, including macroscopic (shear) failure, stable sliding, unstable stick‐slip, and bulk deformation with locked faults. Macroscopic failure and stable sliding were limited to P < 100 MPa and T = 20°C. In contrast, at P ≥ 100 MPa or T ≥ 500°C, faults were locked, and samples with bulk deformation experienced strain hardening at strains ≤8.8%. At T = 100–400°C and P ≤ 100 MPa, we observed unstable stick‐slip behavior, where both fault reactivation stress and subsequent stress drop increased with increasing pressure and temperature, associated with increasing matrix deformation and less fault slip. Microstructures indicate a mixture of microcracking, twinning and dislocation activity (e.g., kinking and undulatory extinction) that depends on P–T conditions and peak stress. The transition from slip to lock‐up with increasing pressure and temperature is induced by an enhanced contribution of crystal plastic deformation. Our results show that fault reactivation and stability in CM are significantly influenced by P–T conditions, probably limiting the nucleation of earthquakes to a depth of a few kilometers in calcite‐dominated faults.

Control of nano-cavitation in semi-crystalline polymer nanocomposites during uniaxial tension: In situ synchrotron X-ray study

The cavitation behavior of polypropylene-silica (PP-silica) and high density polyethylene-silica (HDPE-silica) composites with varying silica content during uniaxial tension was investigated via in situ X-ray techniques. The introduction of silica was found to significantly influence the mechanical properties of the materials. Small-angle X-ray scattering (SAXS) was employed to determine the cavitation onset strain and to observe the evolution of cavity structures. Through model fitting, the size evolution of nanoscale cavities at the onset of cavitation was quantitatively characterized. Scanning electron microscopy (SEM) was utilized to examine the morphology before and after stretching, revealing that cavity structures primarily resulted from internal defects in the polymer matrix and interfacial debonding between silica and the polymer. The long axis of the nanoscale cavities at the onset of cavitation was perpendicular to the tensile direction, and further deformation led to the coalescence into micron-sized cavities with the long axis parallel to the tensile direction. Wide-angle X-ray scattering (WAXS) was used to characterize the microscale deformation process of crystals, showing that during stretching, the lamellae reoriented with the angle between their normal direction and the tensile direction gradually decreasing. Several sets of transition strains representing the plastic deformation were used to compare the microscale and macroscale deformation, elucidating the sequence and differentiation between crystal plastic deformation, cavitation, and yield in the two polymer materials. Intriguingly, both PP-silica and HDPE-silica composites exhibited optimal silica additions and initial structural parameters for regulating cavitation behavior. These findings offer significant guidance for the control of internal structures in porous separators in industrial production.

PT conditions of deformation of the Gol-e-Gohar shear Zone, SW Iran: Insights from analysis of quartz c-axis fabrics, recrystallization mechanisms and syndeformational fluid inclusions

An investigation into the correlation between microstructural characteristics and deformation temperatures of quartz in the middle crust is of utmost importance in yielding substantial knowledge of the nature of deformation zones. Mylonitic rocks from the Gol-e-Gohar Shear Zone were investigated to infer innovative insights into the ductile deformation pressure–temperature (PT) conditions of the Sanandaj–Sirjan metamorphic rocks within the Zagros, southwest Iran. This approach used a multi-method strategy including quartz c-axis fabrics, recrystallization mechanisms and fluid inclusions (Fls) data. Geothermobarometric analysis based on these data highlight deformational PT conditions ranging from ∼400 to ∼500 °C and P < 5 kbar that correspond to ductile deformation with greenschist to lower-amphibolite conditions at depth of ∼ 12–19 km. Measured opening angles of quartz c-axis fabric and dominance of basal < a > slip system indicate crystal plastic deformation occurred in T > 400 °C. Microstructures highlighting the occurrence of Grain Boundary Migration (GBM) confirm temperature of 500–600 °C. The deduced P–T–salinity Fls history of deformation-related fluid inclusions is highlighted by Fls (B-type) with H2O-CO2–rich metamorphic fluids. These fluids were trapped during ductile deformation in temperatures ranging from ∼ 355 to ∼ 535 °C and pressure of P < 5 kbar. The petrofabric analyses show that the mylonitic rock in the Gol-e-Gohar shear zone have undergone metamorphism at the amphibolite facies condition, and then followed by a retrograde greenschist facies metamorphism. These results emphasize the utility of microstructural and fluid inclusion techniques to constrain the history of mylonitic rocks exhumation in the deformation zones.

Unravelling the jerky glide of dislocations in body-centred cubic crystals.

In situ straining tests in high purity α-Fe thin foils at low temperatures1 have demonstrated that crystal line defects, called dislocations, have a jerky type of motion made of intermittent long jumps of several nanometres. This observation conflicts with the standard Peierls mechanism for plastic deformation in body-centred cubic crystals, where the screw dislocation jumps are limited by inter-reticular distances, that is, distances of a few angstroms. Employing atomic-scale simulations, we show that although the short jumps are initially more favourable, their realization requires the propagation of a kinked profile along the dislocation line, which yields coherent atomic vibrations acting as travelling thermal spikes. Such local heat bursts favour the thermally assisted nucleation of new kinks in the wake of primary ones. The accumulation of new kinks leads to long dislocation jumps like those observed experimentally. Our study constitutes an important step towards predictive atomic-scale theory for materials deformation.

Microfabric, 3D-strain geometry and kinematic vorticity analysis of Au-bearing shear zone, Central Domain of the Borborema Province, NE Brazil

In the Central Domain of the Borborema Province, mineralized quartz veins type lode-gold deposits (orogenic gold deposits) occur hosted in shear zones. The gold mineralizations are associated with medium-grade metamorphic country rocks, mainly gneisses, and mica schists, consisting of several occurrences and small deposits closely related to the deformational fabric. The Itapetim Shear Zone (ISZ) is one of these shear zones hosting gold mineralizations, which is characterized by heterogeneous and asymmetric deformation fabric. Gold mineralizations occur in laminated quartz veins (shear veins), generally restricted to the innermost portion of the shear zone, extending along the strike for a few kilometers. The microstructures in mineralized quartz veins and mylonitic rocks show evidence of crystal plastic deformation and annealing, indicating that static recrystallization took place after deformation ceased. The strain magnitude, strain symmetry, and kinematic vorticity data show that the shear zone has experienced a deformation history of flattening to plane strain with contributions of both simple (Wm ≥ 0.9) and pure shear (Wm ≤ 0.6) deformation components. It is concluded that the partitioning of kinematic flow contributed to the localized occurrence of mineralized veins preferentially along a segment of the shear zone marked by a dominant simple shear deformation regime.

Superplastic deformation inside the knife-sharp shear bands in mid-crustal granites

We examined the microstructures of three ductile shear bands of granitic composition that deformed under mid-to-upper greenschist facies. These shear bands, from the Bundelkhand Craton, India, are 0.8–4.4 mm thick with 20–30 μm median grain sizes and share sharp contacts with the host granite. Comminution of the rheologically stronger feldspars increased permeability, promoted fluid influx, and allowed strain localisation in the incipient shear bands. The major components, quartz and feldspars, deformed via phase-specific crystal plastic deformation mechanisms. Quartz in the monomineralic bands deformed predominantly via dislocation creep, while the feldspars deformed via diffusion creep. Finer quartz grains, which occur at plagioclase triple junctions, resulted from myrmekitisation – also evident from the anti-clustered distribution of quartz-plagioclase phase boundaries and CPO inheritance. The weak CPOs and high mean misorientation angles of the fine plagioclase and K-feldspar grains and yet a high shear strain (γ = 16–37) suggest a significant contribution of grain boundary sliding (GBS) in strain localisation inside the ductile shear bands. Since intracrystalline slip alone cannot explain the high ductile strain in the shear bands, we suggest that GBS controlled the deformation and maturation of the shear bands and promoted superplasticity to accommodate further shearing.

Microscopic defect dynamics during a brittle-to-ductile transition

Deformation of all materials necessitates the collective propagation of various microscopic defects. On Earth, fracturing gives way to crystal-plastic deformation with increasing depth resulting in a "brittle-to-ductile" transition (BDT) region that is key for estimating the integrated strength of tectonic plates, constraining the earthquake cycle, and utilizing deep geothermal resources. Here, we show that the crossing of a BDT in marble during deformation experiments in the laboratory is accompanied by systematic increase in the frequency of acoustic emissions suggesting a profound change in the mean size and propagation velocity of the active defects. We further identify dominant classes of emitted waveforms using unsupervised learning methods and show that their relative activity systematically changes as the rocks cross the brittle-ductile transition. As pressure increases, long-period signals are suppressed and short-period signals become dominant. At higher pressures, signals frequently come in avalanche-like patterns. We propose that these classes of waveforms correlate with individual dominant defect types. Complex mixed-mode events indicate that interactions between the defects are common over the whole pressure range, in agreement with postmortem microstructural observations. Our measurements provide unique, real-time data of microscale dynamics over a broad range of pressures (10 to 200 MPa) and can inform micromechanical models for semi-brittle deformation.

Anisotropic Deformation Behavior and Indentation Size Effect of Monocrystalline BaF2 Using Nanoindentation.

In this study, our objective is to investigate the anisotropic deformation behavior and the indentation size effect (ISE) of monocrystalline barium fluoride (BaF2) using nanoindentation experiments with a diamond Berkovich indenter. BaF2 is known for its anisotropy, which results in significant variations in its mechanical properties. This anisotropy poses challenges in achieving high processing quality in ultra-precision machining. Through our experiments, we observed numerous pop-in events in the load-displacement curves, indicating the occurrence of plastic deformation in BaF2 crystals, specifically in the (100), (110), and (111) orientations; these pop-in events were observed as the indentation depth increased to 56.9 nm, 58.2 nm, and 57.8 nm, respectively. The hardness-displacement and elastic modulus-displacement curves were obtained from the tests exhibiting the ISE. The nanoindentation hardness of BaF2 is found to be highly dependent on its crystallographic orientation. Similarly, for BaF2 in the (100) orientation, the range is from 2.43 ± 0.74 and 1.24 ± 0.12 GPa. For BaF2 in the (110) orientation, the values range from 2.15 ± 0.66 to 1.18 ± 0.15 GPa. For BaF2 in the (111) orientation, the values range from 2.12 ± 0.53 GPa to 1.19 ± 0.12 GPa. These results highlight the significant influence of crystallographic orientation on the mechanical properties of BaF2. To better understand the ISE, we employed several models including Meyer's law, the Nix-Gao model, the proportional specimen resistance (PSR) model, and the modified PSR (mPSR) model, and compared them with our experimental results. Among these models, the mPSR model demonstrated the best level of correlation (R2>0.9999) with the experimental measurements, providing a reliable description of the ISE observed in BaF2. Our reports provide valuable insights into the anisotropic mechanical characteristics of BaF2 materials and serve as a theoretical guide for the ultra-precision machining of BaF2.

Microstructures, geochemistry, and geochronology of mica fish: Review and advances

Shear zones are one of the most conspicuous structures in orogenic and rifting settings, accommodating high strain, rock displacement and influencing magma emplacement and fluid flow. Since shear zones may be simultaneously or sequentially affected by multiple processes involving mineral reactions, variations in pressure-temperature conditions, fluid-rock interaction, and diffusion, determining the timing of such structures has been one of the major challenges for modern geochronology. Although low- (up to lower greenschist facies) and high-temperature shear zones (above amphibolite facies) are well-dated through low- and high-closure temperature minerals, medium-temperature shear zones developed within the critical temperature window of ∼450–550 °C, in which conventional chronometers such as 40Ar/39Ar and Rb–Sr applied to mica fish may or may not record the timing of deformation for multiple reasons (e.g., grain size, cooling rate, mineral composition, fluid activity, deformation, neo- and recrystallization). Here, we review the current knowledge on the evolution of mica fish and the effect of deformation on its chemical and isotopic systems. We evaluate the effect on the widely deployed in situ 40Ar/39Ar technique. Furthermore, we demonstrate the potential to assess mica fish evolution applying high-spatial resolution microstructural and chemical mapping techniques such as electron backscatter diffraction (EBSD), time-of-flight secondary ion mass spectrometry (ToF–SIMS) and in situ Rb–Sr via triple quadrupole inductively coupled plasma mass spectrometry (TQ-ICP-MS) to a case study of medium-temperature mylonites from the well-characterized Taxaquara shear zone, SE Brazil. We show that mica fish display complex microstructures with variable strain intensity, commonly with low strain inner cores and high strain edges and along kink planes. Strain shadows in mica fish are commonly characterized by low-strain fine-grained muscovite, suggesting recrystallization coeval with ductile deformation. Despite being intensely deformed, muscovite fish Rb–Sr retain the protolith age (c. 600 Ma), whereas recrystallized fine-grained muscovite yields the timing of deformation (c. 550–540 Ma). Synthetic shear bands cross-cutting coarse-grained muscovite fish induce muscovite recrystallization consistent with their distinct chemistry, with recrystallized muscovite characterized by higher Fe–Mg and lower Na suggesting fluid-assisted recrystallization under lower temperature compared to the muscovite fish host. We propose that these shear bands across mica fish play an important role by accommodating grain size reduction and subsequent deformation, leading to the formation of smaller individual mica fish. Grain size reduction, likely enhanced by dynamic precipitation (i.e., coeval crystal-plastic deformation and dissolution-precipitation creep), appears as the key recrystallization mechanism that allows low strain muscovite in strain shadows and shear bands to record the timing of deformation in medium-temperature shear zones, consistent with qualitative Sr diffusion modelling.

Crystal plasticity and fluid availability govern the ability of titanite to record the age of deformation

Here, we study the relationships of titanite-hosting microdomains, intragrain chemical variations, microstructure and fluids with the aim of deciphering the reliability of titanite U–Pb dating to constrain the age of deformation in mylonitic rocks. We investigate these relationships in a post-Variscan amphibolite-facies shear zone developed in the mid-low continental crust (Ivrea-Verbano Zone, Southern Alps, Italy). Quantitative orientation analyses along with textural imaging of titanite are combined with trace-element analyses and U–Pb age dating. Titanite is studied in mm- to cm-scale layered rocks showing compositional variation consisting of alternating ‘amphibole-rich’ (i.e., amphibolites) and ‘clinopyroxene/plagioclase-rich’ domains (i.e., calc-silicates). Titanite from amphibole-rich domains shows predominance of crystal–plastic deformation features, as abrupt or progressive core-to-rim structures characterized by increasing lattice distortion and local dislocation density, associated with the development of abundant subgrains and rare newly nucleated grains. We suggest that these microstructures form while interacting with small amounts of fluids circulating along the grain boundaries. Consequently, locally the chemistry of titanite is changing. In the clinopyroxene/plagioclase-rich domains, titanite is mostly undeformed and rarely shows bending localized in discontinuous narrow rims/tips. In these domains, fluid-mediated replacement reactions are either rare or absent, as also indicated by weak chemical variations across and among grains. These observations suggest different reactivities with respect to the same P-T-fluid conditions of the two compositional domains, which coexist within the same sample at the thin section scale. U–Pb data show correlations with chemical and microstructural domains that differ as function of the composition of the microdomain. This correlation is more apparent within amphibole-rich domains where microstructures characterized by high lattice distortion/dislocations and/or subgrains show significant variations of REE, Zr, Y, Nb, U with respect to the low deformed portion of grains. These titanite domains define an isotopic population providing the youngest (Jurassic) lower intercept age. A less clear correlation between titanite chemistry and microstructures is observed in clinopyroxene/plagioclase-rich domains. Here, the rare titanites showing lattice distortion and minor Sr depletion define a population providing a similar Jurassic lower intercept age. Therefore, our results demonstrate that microstructurally and chemical calibrated U–Pb dating of titanite provides realistic ages of shear zone activity, only in case of predominance of crystal-plastic processes and of local interaction of titanite with small amounts of fluids focused along grain boundaries. Finally, the different footprints recorded by titanite grains strongly depend on the composition of cm- or mm-scale interlayered domains in which titanite occurs.

Microstructural Insights into the Evolution of Ophiolitic Chromite from Luobusha

The podiform chromitite found within the Luobusha ophiolite comprises characteristic nodules and massive chromitites. However, the exact origin of these formations remains a topic of ongoing debate. In this study, the microstructures of olivine and chromite are investigated to unravel their formation processes and shed light on the associated geodynamic mechanisms. EBSD analysis provides insights into chromitite and host peridotite deformation mechanisms. Olivine grains in the host dunite and nodular chromite exhibit crystallographic preferred orientations (CPOs) with D-type fabrics, which show a girdle distribution in the [010] and [001] axes, normal to the foliation plane of the sample. The massive and disseminated chromitite displays B-type and C-type olivine fabric, with a concentration of [001] axes parallel to the lineation of the sample. Crystal plastic deformation can be observed in the Luobusha chromite grains, highlighting intercrystalline deformation processes. Small grains lacking misorientation observed in the massive chromitite are likely attributed to heterogeneous nucleation. Chromite nodules are found to be a patchwork of subgrains with various orientations and high-angle boundary misorientation. The formation of Luobusha chromitite involves deep-seated crystallization, followed by amalgamation, and subsequent deformation within the mantle peridotite. These findings distinguish Luobusha chromitite from other ophiolitic chromite deposits, offering valuable insights into the deformation history and formation processes.

Properties of Accelerating Edge Dislocations in Arbitrary Slip Systems with Reflection Symmetry.

We discuss the theoretical solution to the differential equations governing accelerating edge dislocations in anisotropic crystals. This is an important prerequisite to understanding high-speed dislocation motion, including an open question about the existence of transonic dislocation speeds, and subsequently high-rate plastic deformation in metals and other crystals.

Effect of indenter radius on mechanical properties of B3-GaN in nanoindentation based on molecular dynamics

Molecular dynamics (MD) simulation of nanoindentation was conducted to study the indentation of sphalerite gallium nitride (B3-GaN) according to different radius spherical indenters. The effect of indenter radius on the evolution of dislocations, atomic displacements, Von Mises stresses, and phase transition of B3-GaN was primarily analyzed. The outcomes of the study indicate that the plastic deformation of B3-GaN crystals may be attributed to the propagation of dislocations and amorphization. The pop-in events of load in the load-depth curve is related to dislocation nucleation, amorphization, and phase transition. As the indenter radius increases, the critical load during the elastic-plastic transformation increases, and the hardness decreases gradually. The Burgers vector of dislocations during indentation is almost all 1/2 <110>, and the main slip directions were along the <110> crystallographic direction family. The magnitude and distribution range of atomic displacements and Von Mises stresses increase with the indenter radius, and this further promotes the nucleation and propagation of dislocations in the slip system, thus intensifying the plastic deformation of B3-GaN crystals. The elastic deformation of B3-GaN crystals may be attributed to amorphization and phase transition. During the elastic deformation phase, increasing the indenter radius promotes the phase transition of B3-GaN to fibrillated gallium nitride (B4-GaN) and enhances the amorphization of B3-GaN in the deformation layer. In addition, the increase in the indenter radius delays the generation of amorphous phases and phase transition. The outcomes of the study help us understand the mechanical properties of B3-GaN along with its potential for use in precision finishing.

Nanoscale distribution of Ge in Cu-rich sphalerite

A large proportion of the critical elements resources Ge, Ga, and In are associated with sphalerite in Pb-Zn ore deposits. Germanium in sphalerite has been proposed to be structurally bound in the crystal lattice. Using a combination of microstructural, geochemical and nanoscale observations, we show that Ge can be hosted in sphalerite crystal structure as well as nanoparticles of briartite (Cu2(Zn,Fe)GeS4). The structurally-bound Ge was preserved in undeformed sphalerite grains from the Saint-Salvy Pb-Zn vein deposit (France), whereas the briartite nanoparticles were observed in metamorphosed sphalerite from Arre. The briartite nanoparticles likely exsolved from sphalerite during the Pyrenean-Alpine metamorphism and deformation. The presence of nanoparticles may harden the sphalerite during crystal-plastic deformation and help to preserve the critical elements resources of Pb-Zn deposits during metamorphism.