Fcc Crystals Research Articles

Diverse kinetic pathways in shock-compressed phase transitions of a metallic single crystal

Substantial gaps in solid-solid phase boundaries under hydrostatic and uniaxial compression have recently garnered great attention, though the underlying physics remains unclear. In this study, through molecular dynamics simulations of shock-compressed fcc Cu single crystals, we report pronounced orientation-dependent fcc-to-bcc phase transition pressures following the trend [100] < [110] < [111] ≈ thermodynamic phase boundary. We uncover a fundamental crystallographic law that explains these phase boundary gaps, rooted in the classical orientational relationship of martensitic transformations: the degree of alignment between loading directions and the easiest atomic moving path plays a critical role in determining phase transition pathways. The complex, orientation-dependent phase transition pathways and the observed temperature equilibrium efficiency ranking [100] > [110] > [111] further support the validity of this crystallographic law. This law is broadly applicable to fcc crystals, indicating that phase composition can be controlled by the method of compression, providing a new framework for selective polymorph formation.

Resolving localized geometrically necessary dislocation densities in Al-Mg polycrystal via in situ EBSD

The distribution of geometrically necessary dislocation (GND) densities is critical to understanding the heterogeneous plastic deformation at intragranular scales in polycrystals. In this work, we performed an in situ electron backscatter diffraction (EBSD) measurement during the tensile test on a polycrystalline Al-Mg alloy. The EBSD patterns were processed through the integrated digital image correlation algorithm to enhance angular resolution. Based on the Nye dislocation density tensor, GND densities of 18 dislocation types in fcc crystals were resolved and mapped at macroscopic strains ranging from 5% to 16%. The evolution of GND distribution showed that GNDs were generated near grain boundaries at small strains and later localized at grain interiors along subgrain boundaries and slip bands at large strains. The inhomogeneous increase in GND densities of different dislocation types, representing dislocation substructures, along the subgrain boundaries was disclosed. Meanwhile, high GND densities were observed along the slip bands when a double noncoplanar slip system was activated inside the grains. The obstructed movement of dislocations by Lomer junctions explained the GND storage in different {111} slip planes. The existence of Lomer junctions was proven by Burgers circuit analysis with high-resolution transmission electron microscopy, which explained the increase in [101] screw dislocation density according to the dislocation reaction.

Analysis of Strength Improvement and Crystallographic Tranformations In an Isothermal Oil Quenched on Martempering AISI 4140

This study aims to maintain the phase change process of 4140 steel at the starting point of martensite (Ms) by adjusting the speed and restraint of the transformation process to prevent the formation of the final martensite (Mf) phase. The use of oil with a constant temperature is able to stabilize the austenite phase into retained austenite (RA). The isothermal cooling (IQ) process uses a cooling chamber controlled by a microcontroller. The partitioning process is isothermal quenching deformation (IQDP) by heating the specimen at 850oC for 20 minutes which is rapidly cooled in oil quenching medium at constant temperature. Oil quenching media is used to hold the cooling rate so that the austenite phase transformation (FCC crystal) to martensite phase (BCT crystal) occurs. The effect of IQDP treatment on phase change, crystal orientation and mechanical properties were analyzed by hardness test, tensile test and SEM. The test results show that IQ treatment on SAE 40 oil is able to increase its tensile strength and modulus of elasticity. The application of isothermal quenching using SAE 40 oil with a constant temperature of 40 oC has been proven to increase the ductility of raw materials from 1226.94 MPa to 1361.77 MPa.

Crystallographic and electrochemical corrosion resistance analyses of cataphoretically co-deposited spinel Co>0.5Mn0.1-0.3O0.1-0.4@rGO composites over α-Fe(110) as current collector for supercapatteries

Binder free spinel Co>0.5Mn0.1-0.3O0.1-0.4@rGO composite electrode films were fabricated via galvanostatic electrochemical deposition technique over α-Fe(110) as current collector for hybrid supercapattery. Self-designed, n-MOSFET embedded ATMega328P microcontroller assisted modules were deployed to record the chronopotentiometric as well as galvanostatic charging-discharging analysis for specific capacitance (Cs) measurements. Partial, exchange as well as limiting current densities(iL) and cathodic current efficiency were estimated. Electrochemical signature was analyzed from cyclic voltammetry data. Morphology and chemical nature of the composites were scrutinized with scanning electron microscopy, X-ray photoelectron, FT-IR and Raman spectra. Indigenously designed computer simulation programs coded in Python were used to optimize the deposition parameters and to analyze the crystalline structure from XRD data. The unit cell length for the FCC crystal with an octahedral geometry was ∼ 4.28 Å. An in-depth analysis of potentiodynamic polarization as well as electrochemical impedance spectral data were carried out to scrutinize the corrosion resistance and capacitance characteristics of the composites in KOH. From the Tafel constants, Ecorr, Icorr, Ru, RCT and ZW data, it was accentuated that rGO incorporated composite films offer enhanced corrosion protection for Fe(110) substrates than their individual counterparts along with augmented specific capacitance. Estimated Cs was about 1166 F.g−1 at a scan-rate of 10 mV.s−1. Impact of time-constant (τ) and current density over Cs was analyzed via GCD technique and was about 1458.73 F.g−1 at 2 τ and at 0.5 A.g−1. And the corresponding specific energy and power density were about 183.23 W.h.kg−1 and 237.75 W.kg−1 respectively. These composite electrode films impregnated with rGO not only improved the specific capacitance but also imparts the sacrificial corrosion resistance over the α-Fe(110) as current collector in presence of OH−as electrolyte and can serve as a sustainable electrode material for supercapatteries.

Modeling of crack tip fields and fatigue crack growth in fcc crystals

Predicting the mechanical behavior of polycrystalline materials containing a crack under both monotonic and cyclic loading conditions is crucial for accurately assessing the integrity of engineering materials. This study focuses on the deformation characteristics of face-centered cubic (fcc) grains within the crack tip field and their significant role in governing the driving force for fatigue crack growth during cyclic loading. We employ a cyclic crystal plasticity finite element (CPFE) model to analyze the mechanical response of austenitic 316L stainless steel polycrystals by accounting for nonlinear kinematic hardening effects. Through CPFE simulations, we investigate the deformation fields in 316L grains at the crack tip, considering two different grain orientations under plane strain conditions. Our CPFE results under monotonic loading align consistently with previous theoretical and experimental findings, particularly in comparing CPFE-simulated and experimentally observed plastic sectors consisting of different slip traces on the specimen surface near the crack tip. Based on a critical plastic work criterion for crack advancement, cyclic CPFE simulations are used to determine the fatigue crack growth rate as a function of stress intensity factor range for the two crack tip grain orientations in stainless steel. The simulated Paris law exponent matches experimental values. Furthermore, we compare cyclic CPFE results with those from cyclic J2 plasticity finite element simulations. This study demonstrates a cyclic CPFE approach for determining crack tip fields, accounting for crystallographic effects on plastic deformation of crack tip grains. Our approach can be applied to effectively evaluate fatigue crack growth rates in fcc polycrystalline metals.

Thermodynamic modeling of pressure-dependent phase diagram in alkali metals Li, Na and K

The high-pressure behavior of the alkali metals has attracted much attention in both experimental and theoretical aspects. This study is focused on the thermodynamic optimization of the temperature and pressure dependence of the molar volumes, the compressibility and phase diagrams of Li, Na and K according to the CALPHAD method. The pressure-temperature phase diagrams of lithium, sodium and potassium up to 50–100 GPa were calculated using the obtained thermodynamic parameters. The available experimental data, such as extremely low melting temperatures at high pressure, pressure-induced structural transitions between simple bcc and fcc crystals and the molar volume changes with the increasing pressure, were well reproduced in our calculations. The good agreements between our calculations and the experiments assessed in the literature indicated that our thermodynamic parameters are reasonable. Our thermodynamic calculations would assist to understand the phase transitions and structural properties of alkali metals at high pressure.

Microstructure, mechanical properties and tribological behavior of (TiZrHfNbTa)Nx high entropy films deposited by magnetron sputtering

High entropy nitride (HEN) films of (TiZrHfNbTa)Nx were deposited by reactive DC magnetron sputtering, choosing 304 stainless steel and silicon wafers as the experimental substrates. The influence of nitrogen flow rate RN: N2/(N2+Ar) on the microstructure and properties of HEN films was investigated. The results showed that HEN films exhibit granular surface morphologies and internal characteristics of amorphous embedded FCC crystals, exhibiting a structure of amorphous at the lower RN (0, 2 %) and transforming to FCC crystals with preferred (111) orientation as RN increasing (6.5%–26 %), with the decrease of crystallinity and the alteration of preferred orientation from (111) to (200) at the further increase of RN at 40 %. The introduction of nitrogen led to significant improvements of film hardness (>23 GPa) and modulus (>270 GPa). When RN = 13 %, the hardness is up to 30.7 GPa, and the modulus is 340 GPa at RN = 6.5 %. The as-deposited films exhibited excellent wear resistance, and the wear rate (6.65✕10−6mm3/Nm) was the lowest when RN = 2 %.

Lower negative bounds on the static electric susceptibility of nonequilibrium cubic crystals

We use a classical, microscopic model of pointlike dipolarizable entities (a model that is standard in the case of positive polarizability) and investigate its behavior for simple cubic (sc), body-centered cubic (bcc), and face-centered cubic (fcc) crystals with one entity per primitive cell when the static polarizability of the entities is negative and the mutual electrostatic interaction between the entities is taken into account. We find that the static electric susceptibility is bounded below due to an instability towards self-polarization but negative values are possible in each case. The usual Clausius-Mossotti relation between the static polarizability and the static electric susceptibility remains valid in the case of negative parameters but is truncated at the lower bound; the value of the bound depends on the crystal structure and is always unrelated to the asymptote of the Clausius-Mossotti curve. The lower bounds of the static electric susceptibility are found to be −0.906 for sc and −1.00 for bcc and fcc. These results confirm that, although the magnitude of the static electric susceptibility does not diverge in the negative case (as it can in the positive case), the magnitudes attainable in the negative case for condensed media may, nevertheless, be many orders of magnitude greater than those predicted previously for inverted vapors and gases. This is a promising result in relation to the development of potential new technologies that exploit the phenomenon. Published by the American Physical Society 2024

Pathways of hydrogen atom diffusion at fcc Cu: Σ9 and Σ5 grain boundaries vs single crystal

The diffusion of H-atoms is relevant for innumerous physical–chemical processes in metals. A detailed understanding of diffusion in a polycrystalline material requires the knowledge of the activation energies (ΔEa’s) for diffusion at different defects. Here, we report a study of the diffusion of H-atoms at the Σ9 and Σ5 grain boundaries (GBs) of fcc Cu that are relevant for practical applications of the material. The complete set of possible diffusion pathways was determined for each GB and we compared the ΔEa at bulk fcc Cu with the landscape of ΔEa’s at these defects. We found that while a number of diffusion pathways at the GBs have high tortuosity, there are also many paths with very low tortuosity because of specific structural features of the interstitial GB sites. These data show that the diffusion of H-atoms at these GBs is highly directional but can be fast because at certain paths the ΔEa can be as low as 0.05 eV. The lowest energy paths for diffusion of H-atoms through the whole GB models are ΔEa = 0.05 eV for the Σ9 and ΔEa = 0.20 eV at Σ5 which compare with ΔEa = 0.42 eV for the bulk fcc crystal. This shows that H-atoms will be able to diffuse very fast at these defects. With the Laguerre–Voronoi tessellation method, we studied how the local atomic structure of the interstitial sites of the GBs leads to different ΔEa’s for diffusion of H-atoms. We found that the volume expansions and the coordination numbers alone cannot account for the magnitude of the ΔEa’s. Hence, we developed a symmetry quantifying parameter that measures the deviation of symmetry of the GB sites from that of the bulk octahedral site and hence accounts for the distortion at the GB site. Only when this parameter is introduced together with the volume expansions and the coordination numbers, it is possible to correlate the local structure with the ΔEa’s and to obtain descriptors of diffusion. The complete set of data shows that the extrapolation of diffusion data for H-atoms between different types of GBs is non-trivial and should be done with care.

Unveiling mechanisms of self-healing in CoCrFeMnNi/HfNbTaTiZr dual-phase high-entropy alloys: A molecular dynamics simulation study

This study investigates the mechanical properties and self-healing behavior of FCC CoCrFeMnNi/BCC HfNbTaTiZr dual-phase high-entropy alloy (DP-HEA) multilayers using molecular dynamics simulations. The relaxed DP-HEA multilayers have low hexagonal close-packed (HCP) percentages and decreasing "Other" fractions with increasing thickness. DP-HEA multilayers exhibit ductile behavior under uniaxial tensile loading, with stress increasing linearly until the yield strain and then gradually decreasing. Dislocation motion, twinning in the FCC phase, and BCC to HCP local structural transformation contribute to this behavior. Single crystal FCC CoCrFeMnNi and BCC HfNbTaTiZr alloys show different stress-strain responses, while DP-HEAs exhibit no significant stress drop beyond the ultimate strain. Self-healing is observed in DP-HEAs with 5 and 10 nm thickness, with a transformation from HCP to BCC structures. The DP-HEA with 15 nm thickness shows less pronounced self-healing. The interlayer distance between BCC/FCC interfaces influences the self-healing ability of the BCC phase. These findings enhance our understanding of the mechanical behavior and self-healing mechanisms in DP-HEA multilayers, facilitating the design of advanced materials with improved properties.

Synthesis and physical properties of pure NiO and Ni1–2xMgxMxO (M= Cu, Ru) nanoparticles: Role of growth temperature

Herein, low-cost chloride precursors, EDTA, and NaOH were employed through a facile coprecipitation synthesis route to prepare pure and codoped NiO nanoparticles: Ni1–2xMgxMxO, where M = Cu and Ru and x = 1, 4, and 8 at%. To examine the impact of reaction temperature on the thermal, structural, morphological, optical, and magnetic properties of the prepared samples, the precursor aqueous solutions were heated at 60, 70, and 80 ºC. Data analysis revealed the strong dependence of all the studied properties on reaction temperature and codoping. Thermogravimetric analysis (TGA) was performed to evaluate the thermal stability of the prepared samples. The face-centered cubic (fcc) crystallization of NiO was maintained at all the applied temperatures and doping concentrations. X-ray diffraction (XRD) patterns showed the good incorporation of Mg2+ and Cu2+ ions with the host Ni2+ ions in Ni1–2xMgxCuxO samples, while peaks of RuO2 appeared as an impurity phase in Ni1–2xMgxRuxO samples. Tiny spherical nanoparticles with a crystallite size of 6 nm were produced at 80 ºC and 8 at% (Mg, Ru) codoping. Energy dispersive X-ray (EDX) analysis confirmed that the elemental compositions of the synthesized samples were in stoichiometric ratios. The UV-Vis spectra demonstrated a monotonic increase in band gap with reaction temperature and codoping. The estimated Herve-Vandamme refractive index (nHV), the high (ε∞) and the static (εo) dielectric constants showed a decreasing trend with increasing reaction temperature. Weak ferromagnetic behavior was observed for the pure NiO samples, while the codoped samples with x > 4% showed linear M-H curves. The coercivety (Hc) decreased with reaction temperature, implying single-domain magnetization and sizes below the critical one. The magnetocrystalline anisotropy (K) indicated the softness of the prepared samples.

Minimum Free-Energy Shapes of Ag Nanocrystals: Vacuum vs Solution.

We use two variants of replica-exchange molecular dynamics (MD) simulations, parallel tempering MD and partial replica exchange MD, to probe the minimum free-energy shapes of Ag nanocrystals containing 100-200 atoms in a vacuum, ethylene glycol (EG) solvent, and EG solvent with a PVP polymer containing 100 repeat units. Our simulations reveal a shape intermediate between a Dh and an Ih, a Dh-Ih, that has distinct structural signatures and magic sizes. We find several prominent features associated with entropy: pure FCC nanocrystals are less common than FCC crystals containing stacking faults, and crystals with the minimum potential energy are not always preferred over the range of relevant temperatures. The shapes of the nanocrystals in solution are influenced by the chemical identities of the solution-phase molecules. Comparing Ag nanocrystal shapes in EG to those in an EG+PVP solution, we find more icosahedra in EG and more decahedra in EG+PVP across all of the nanocrystal sizes probed in this study. At certain critical sizes, nanocrystal shapes can change dramatically with the addition and removal of a single atom or with a change in temperature at a fixed size. The information in our study could be useful in efforts to devise processing routes to achieve selective nanocrystal shapes.

Robust crystal structure identification at extreme conditions using a density-independent spectral descriptor and supervised learning

The increased time- and length-scale of classical molecular dynamics simulations have led to raw data flows surpassing storage capacities, necessitating on-the-fly integration of structural analysis algorithms. As a result, algorithms must be computationally efficient, accurate, and stable at finite temperature to reliably extract the relevant features of the data at simulation time. In this work, we leverage spectral descriptors to encode local atomic environments and build crystal structure classification models. In addition to the classical way spectral descriptors are computed, i.e. over a fixed radius neighborhood sphere around a central atom, we propose an extension to make them independent from the material’s density. Models are trained on defect-free crystal structures with moderate thermal noise and elastic deformation, using the linear discriminant analysis (LDA) method for dimensionality reduction and logistic regression (LR) for subsequent classification. The proposed classification model is intentionally designed to be simple, incorporating only a limited number of parameters. This deliberate simplicity enables the model to be trained effectively even when working with small databases. Despite the limited training data, the model still demonstrates inherent transferability, making it applicable to a broader range of scenarios and datasets. The accuracy of our models in extreme conditions (high temperature, high density, large deformation) is compared to traditional algorithms from the literature, namely adaptive common neighbor analysis (a-CNA), polyhedral template matching (PTM) and diamond structure identification (IDS). Finally, we showcase two applications of our method: tracking a solid–solid BCC-to-HCP phase transformation in Zirconium at high pressure up to high temperature, and visualizing stress-induced dislocation loop expansion in single crystal FCC Aluminum containing a Frank–Read source, at high temperature.

Numerically efficient and robust interior-point algorithm for finite strain rate-independent crystal plasticity

The challenges of classic rate-independent crystal plasticity models regarding the determination of active slip systems and computation of solutions due to linear dependent slip systems are still a field of active research. In that regard, interior-point methods are promising approaches because a logarithmic barrier term naturally avoids the combinatorial active set search, and these methods are applicable even when the gradient of inequality constraints is linearly dependent. In this paper, a new interior-point algorithm suitable for rate-independent crystal plasticity at finite strains is developed. For that purpose, the postulate of maximum dissipation is recast as a constrained optimization problem whose optimality conditions are derived by utilizing interior-point approaches. This optimization problem is discretized in time by means of an exponential time integration of the flow rule, and the time-discrete equations are solved by a Newton scheme. The focus of this paper is the efficiency and robustness of the implementation of this approach. In particular, the effect of different line search procedures, favorable residual forms, preconditioning methods, barrier parameter updates and the consistent algorithmic tangent modulus are discussed and further elaborated. In addition, aspects regarding uniqueness and well-posedness of the algorithm are analyzed in a geometrically linearized setting. Efficiency and robustness of the developed algorithm are shown by numerical examples of an FCC crystal including finite element simulations without stabilizing hardening or rate-dependent effects. Furthermore, the results are compared to the well-established augmented Lagrangian formulation.

Improved Haacke's quality factor, third order nonlinear susceptibility and specific capacitance realized for PbS thin films through La3+ doping

The present study examines the third order NLO and electrochemical properties of spray deposited lanthanum doped PbS (PbS:La) thin films. FCC crystallization was confirmed by XRD patterns along the plane (2 0 0). PbS crystallites vary in size between 27 and 36 nm with La doping concentration. Surface morphology improved with La doping. La doping increases the band gap from 1.97 to 2.18 eV. Near band edge (NBE) emissions in PL spectra originates from electron-hole recombination. A low resistivity of 0.23 x10−3 Ω-m was realized for PbS film doped with 4 wt% La concentration. Figure of merit of pure PbS improves from 1.32 x 10−3 Ω−1 to 1.607 x 10−2 Ω−1 with La doping. La doping modifies the energy states and band gap of PbS favouring strong nonlinear optical absorption. PbS:La thin films demonstrate self-defocusing due to temperature effects caused by absorption of single photons or free carriers. As a result of the low cationic field strength and high polarizability of La3+ ions, PbS exhibits a higher nonlinear refractive index. The nonlinear susceptibility and refractive index were found to be in the range 3.23–5.33 x 10−6 esu and 2.74 to 3.64 x 10−9 cm2/W, respectively. From the electrochemical studies, increased specific capacitance (256.46 F/g) and decreased charge transfer resistance (12 x 103 Ω) was observed for the 4 wt% La doped film.

MOLECULAR SIMULATION OF WATER STRUCTURE IN NARROW SLITLIKE PORES

The structure of water in narrow slitlike pores has been studied by the methods of molecular dynamics simulation. Pores with interwall distances of 6.2–15.5 Å have been considered. Water structures resulting from spontaneous crystallization upon cooling to T = 300 K have been clarified on the basis of twoand three-dimensional order parameters. It has been shown that the observed structures can be described as sections of FCC or HCP crystals.

Magnetic-field-assisted synthesis and catalytic performance of micron cobalt with nano-microstructures

Micron-sized cobalt particles (MCP) with nanostructure were fabricated by a magnetic-field-assisted reduction method. Careful investigations suggest that the presence of magnetic field significantly affected the morphology and crystal structure of MCP. With the increase of the magnetic field intensity, the cobalt particles grew from original irregular 3-D dendrite to 2-D foliature, and finally changed to a 3-D flower-like structure with nanostructure. X-ray diffraction investigation suggests that the MCPs are composed of two crystal types, fcc and hcp. The fcc phase component increased with the increase of the applied magnetic field. The obtained MCPs were employed to activate peroxymonosulfate for the degradation of tetracycline (TC). It is found that the magnetically synthesized samples have much higher catalytic activity than that fabricated without magnetic field. The highest TC removal, up to 98.99%, was obtained from the MCP synthesized under 200 mT.

Slip system interactions in BCC single crystals: System deactivation and segregation

In single crystal plasticity, latent hardening between the different slip systems, coming from the interaction of dislocations, strongly influences the slip system activity under prescribed deformation. Both the deactivation of redundant systems and the potential segregation of the remaining ones in separated zones set up in a way that minimizes the work expended and thus tends to eliminate the strongest interactions: these phenomena can be analyzed as unstable perturbations of the initial loading path activating all systems favorably oriented towards the loading orientation. This question, investigated in previous papers for FCC copper by comparing crystal plasticity computation to linear stability analysis (Dequiedt et al., 2015; Dequiedt, 2018), is pursued in this work for the case of BCC crystals loaded along axes of symmetry of the crystal lattice. In the athermal regime, the potential activation of {112} systems in addition to {110} systems increases the number of systems available to accommodate the deformation and the possibilities to eliminate strong interactions; similar trends as for FCC crystals are observed, i.e. the role played by the very strong collinear interaction in the first place and the influence of hard junctions in the second place. On the contrary, in the thermal activation regime, the effect of latent hardening is alleviated by the high shearing rate sensitivity which tends to favor the simultaneous activation of numerous systems regardless of their mutual hardening: symmetry breaking evolution linked with system deactivation and segregation are thus strongly penalized, especially when only junctions are involved.

Crystal-Phase-Change-Induced Formation of Defect-Rich Pt–Ag Nanoshells for Efficient Electrooxidation of Formic Acid

In recent years, defect engineering has proven to be a powerful approach for enhancing the electrocatalytic performance of nanomaterials. To advance the application of defect-rich nanomaterials, it is critical to develop new defect engineering strategies. In this study, we propose a new strategy for creating an abundance of defects in ultrathin metal nanomaterials by crystal phase engineering. Specifically, we synthesized hexagonal close-packed (hcp)/face-centered cubic (fcc) Ag@Pt core/shell nanoechinus by using hcp/fcc mixed-phase Ag nanoechinus as templates through epitaxial growth. Selective etching of the Ag templates resulted in a transformation of the epitaxial layer from the hcp to the fcc crystal phase, along with the formation of abundant defects in the Pt–Ag nanoshells (Pt–Ag NSs). Subsequently, we employed thermal annealing to produce porous walls in the defect-rich Pt–Ag NSs. Compared to commercial Pt/C, the resulting defect-rich Pt–Ag NSs with ultrathin and porous walls demonstrated superior electrocatalytic performance in formic acid oxidation due to their unique porous, ultrathin, defect-rich, and alloy structures. Our findings highlight a new application of crystal phase engineering for synthesizing defect-rich nanomaterials and may lead to new opportunities for engineering the electrocatalytic properties of metal nanomaterials through defect engineering.

Effects of temperature and frequency on cyclic deformation behaviours of Cu single crystals

ABSTRACT Temperature and frequency are significant extrinsic factors that influence the cyclic deformation behaviour of face-centred cubic crystal (fcc) single crystals. For Cu single crystals, an increase in temperature causes the disappearance of the plateau region in the cyclic stress–strain (CSS) curves and a significant decrease in the saturation resolved shear stress at low strain amplitudes. This is attributed to the enlargement of the space between Persistent Slip Band (PSB) ladders, resulting in a lower volume fraction of the rungs in PSBs, leading to a lower saturation shear stress. Conversely, an increase in frequency does not affect the appearance of the plateau behaviour in CSS curves, but it slightly increases the corresponding plateau stress. This is because a higher frequency increases the probability of interaction between edge dislocations, leading to an increase in the local flow stress in the rungs, ultimately resulting in an increment of the saturation stress.