Basal Plane Research Articles

Feature size specific processing parameters for additively manufactured Ti-6Al-4V micro-strut lattices

The material properties of individual micro-struts are critical to the overall success of lattice structures. These properties can be significantly compromised by defects inherited from powder bed fusion processes. Among these defects, porous inclusions are well understood to have a detrimental effect on mechanical properties; posing a high risk to the implant under loading. While the majority of these defects can be avoided through optimisation of printing parameters, this has generally only been done for traditional bulk components with no in-designed porosity. Furthermore, a number of studies have observed changes in the frequency of such porous inclusions as feature size is reduced, indicating a size effect. This also suggests that the optimal parameters for bulk material are not necessarily translatable to the individual micro-struts which build the lattice. In this study, the relationship between parameter optimisation and feature size was investigated. Here, a higher energy density input was required for processing micro-strut lattices with an optimised relative density, than it was for bulk components. This could be attributed to faster rates of heat loss in micro-strut samples on account of their increased surface-to-volume ratio. The consequential improvement in mechanical properties was also assessed. An increase in both strength and stiffness could be largely attributed to an increase in the percentage volume of load bearing material, while improvements in failure strain were largely driven by minimisation of stress concentrations around the irregular pore morphologies. Fatigue properties did not improve beyond the effects of yielding. Rather, crack initiation was dominated by surface defects; which on account of their surface free energy, experience a much higher stress intensity factor.

Quantum engineering for compactly localized states in disordered Lieb lattices

Abstract Blending ordering within an uncorrelated disorder potential in families of 3D Lieb lattices preserves the macroscopic degeneracy of compact localized states and yields unconventional combinations of localized and delocalized phases—as shown in Liu et al. (Phys Rev B 106:214204, 2022). We proceed to reintroduce translation invariance in the system by further ordering the disorder, and discuss the spectral structure and eigenstates features of the resulting perturbed lattices. We restore order in steps by first (i) rendering the disorder binary—i.e., yielding a randomized checkerboard potential, then (ii) reordering the randomized checkerboard into an ordered one, and at last (iii) realigning all the checkerboard values yielding a constant potential shift, but only on a sub-lattice. Along this path, we test the influence of additional random impurities on the order restoration. We find that in each of these steps, about half of the dispersive states are projected upon the unperturbed sites hosting the degenerate compact states, while the remaining ones are localized in the perturbed sites with energy determined by the strength of checkerboard. This strategy, herewith implemented in the 3D Lieb lattice, highlights order restoration as experimental pathway to engineer spectral and states features in disordered lattice structures in the pursuit of quantum storage and memory applications. Graphic abstract

Suppressing the phase separation in FAMA mixed perovskite solar cells via the preloading of A site cations within the lattice

The incorporation of MA as a dopant is highly advantageous for stabilizing the lattice structure of α-phase FAPbI3. However, achieving a homogeneous phase mixing is only feasible at elevated MA doping levels, which significantly compromises both the efficiency and stability of FA-dominated perovskite solar cells (PSCs). In this study, it is found that in the nucleation stage of FAMA mixed perovskite, MA+ exhibit a significant kinetic advantage over FA+ in their reaction with PbI3−. The rapid crystallization of MAPbI3 not only induces FA-MA separation but also hinders the crystallization of perovskite due to strains induced by the bulky FA+ cations. To address this issue, we introduced FA0.8MA0.2PbI3 single crystals as the material source to prepare the precursor solutions, which achieved a delicate balance between lattice stability and bandgap (Eg = 1.54 eV). The preloaded A-site cations within the PbI3− cages make the bare FA-dominated perovskite films by blade coating maintain the phase stability in wild ambient for over one year. The final PSCs (0.09 cm2) achieved a highest power conversion efficiency (PCE) of 23.66 %, among the highest efficiency records for blade coated PSCs. The unpackaged PSCs show efficiency loss of < 10 % as being aged in air with a relative humidity of 10 % for over 1000 h.

Thionitrosyl Complexes of Rhenium and Technetium with PPh3 and Chelating Ligands—Synthesis and Reactivity

In contrast to corresponding nitrosyl compounds, thionitrosyl complexes of rhenium and technetium are rare. Synthetic access to the thionitrosyl core is possible by two main approaches: (i) the treatment of corresponding nitrido complexes with S2Cl2 and (ii) by reaction of halide complexes with trithiazyl chloride. The first synthetic route was applied for the synthesis of novel rhenium and technetium thionitrosyls with the metals in their oxidation states “+1” and “+2”. [MVNCl2(PPh3)2], [MVNCl(PPh3)(LOMe)] and [MVINCl2(LOMe)] (M = Re, Tc; {LOMe}− = (η5-cyclopentadienyl)tris(dimethyl phosphito-P)cobaltate(III)) complexes have been used as starting materials for the synthesis of [ReII(NS)Cl3(PPh3)2] (1), [ReII(NS)Cl3(PPh3)(OPPh3)] (2), [ReII(NS)Cl(PPh3)(LOMe)]+ (4a), [ReII(NS)Cl2(LOMe)] (5a), [TcII(NS)Cl(PPh3)(LOMe)]+ (4b) and [TcII(NS)Cl2(LOMe)] (5b). The triphenylphosphine complex 1 is partially suitable as a precursor for ongoing ligand exchange reactions and has been used for the synthesis of [ReI(NS)(PPh3)(Et2btu)2] (3a) (HEt2btu = N,N-diethyl-N′-benzoyl thiourea) containing two chelating benzoyl thioureato ligands. The novel compounds have been isolated in crystalline form and studied by X-ray diffraction and spectroscopic methods including IR, NMR and EPR spectroscopy and (where possible) mass spectrometry. A comparison of structurally related rhenium and technetium complexes allows for conclusions about similarities and differences in stability, reaction kinetics and redox behavior between these 4d and 5d transition metals.

A Study on the Growth of Highly Qualified Superconducting YBa2Cu3O7 Thin Films and Correlation Between Lattice Structure and Critical Temperature

A Study on the Growth of Highly Qualified Superconducting YBa₂Cu₃O₇ Thin Films and Correlation Between Lattice Structure and Critical Temperature

Regulating electronic structure of anionic oxygen by Ti4+ doping to stabilize layered Li-rich oxide cathodes for Li-ion batteries

Abstract Layered Li-rich oxide cathodes enable to activate lattice oxygen anions redox in the charge compensation process and provide superior high specific capacity over 250 mAh g−1 due to their unique configuration, and thus attracting great attentions as promising cathode candidates for Li-ion batteries. However, how to better stabilize the bulk lattice oxygen framework and surface structure, and slow down the release of oxygen, is still major bottleneck to develop high performance Li-rich materials. Transition metal ions with outer d0 electronic configuration have distortable configuration, which can accommodate the local structure and chemical environment of the material, and then improve structural stability. Herein this work, the d0 transition metal Ti4+ is used as doping element to improve the chemical and structural stability, capacity retention and lithium ion diffusion kinetics of Li-rich material. The role of Ti in the material modification is revealed through synchrotron-based soft x-ray absorption spectroscopy, XRD, XPS and electrochemical tests. The improvement in structural stability can be attributed to that Ti doping can adjust the hybridization of O2p and TM3d to regulate the local electronic structure of both bulk lattice oxygen and surface oxygen vacancies. It is hoped that this work should shed light on the development of high-performance cathode materials for Li-ion Batteries.

Dual Dirac Nodal Line in Nearly Freestanding Electronic Structure of β-Sn Monolayer.

Two-dimensional topological insulators (2D TIs) have distinct electronic properties that make them attractive for various applications, especially in spintronics. The conductive edge states in 2D TIs are protected from disorder and perturbations and are spin-polarized, which restrict current flow to a single spin orientation. In contrast, topological nodal line semimetals (TNLSM) are distinct from TIs because of the presence of a 1D ring of degeneracy formed from two bands that cross each other along a line in the Brillouin zone. These nodal lines are protected by topology and can be destroyed only by breaking certain symmetry conditions, making them highly resilient to disorder and defects. However, 2D TNLSMs do not possess protected boundary modes, which makes their investigation challenging. There have been several theoretical predictions of 2D TNLSMs, however, experimental realizations are rare. β-Sn, a metallic allotrope of tin with a superconducting temperature of 3.72 K, may be a candidate for a topological superconductor that can host Majorana Fermions for quantum computing. In this work, single layers of α-Sn and β-Sn on a Cu(111) substrate are successfully prepared and studied using scanning tunneling microscopy, angle-resolved photoemission spectroscopy, and density functional theory calculations. The lattice and electronic structure undergo a topological transition from 2D topological insulator α-Sn to 2D TNLSM β-Sn, with two types of nodal lines coexisting in monolayer β-Sn. Such a realization of two types of nodal lines in one 2D material has not been reported to date. Moreover, we also observed an unexpected phenomenon of freestanding-like electronic structures of β-Sn/Cu(111), highlighting the potential of ultrathin β-Sn films as a platform for exploring the electronic properties of 2D TNLSM and topological superconductors, such as few-layer superconducting β-Sn in lateral contact with topological nodal line single-layer β-Sn.

Deformation-induced multi-step TRIP/TWIP(fcc, hcp) behaviors in metastable Fe55Mn25Co10Cr10 high-entropy alloy at ambient and cryogenic temperatures

The mechanical performance and multi-step TRIP/TWIP behaviors in a metastable Fe55Mn25Co10Cr10 were systematically investigated at room temperature (RT) and 77 K. The deformation behaviors and mechanically induced ε-martensite, fcc twin and hcp twin bands in Fe55Mn25Co10Cr10 were studied based on the thermodynamics and nanostructural analyses. Deformation-induced nanostructural evolutions were found to vary greatly as the temperture decreases from RT to 77K. Deformation induced ε-martensite and fcc deformation twins (fcc) carrying more strain developed at RT. On the other hand, bi-directional ε-martensite bands were favored to accommodate the increased strain at 77K instead of fcc deformation twins because of the increased stability of hcp phase. Complicated hcp ε-martensite twins developed adjacent to the crossed region of two ε-martensitec bands at 77K. The tensile stress developed perpendicular to the original hcp ε-martensite band because of its intrinsic smaller c/a ratio (1.615–1.620) than the ideal ratio (1.633) in hcp ε-martensite, inducing {10Ī2} twins with (0001) basal plane approximately perpendicular (86.0°) to that of the original ε-martensite band. Hcp twinning in the ε-martensite band at 77K is suggested to be driven by the structural and electronic relaxations associated with the c/a distortion of the hcp ε-martensite bands. Excellent strength-ductility combinations were also obtained at RT (861MPa/73.2 %) and 77 K (1.42GPa/61.8 %) because of the enhanced hardening rates due to TRIP/TWIP(fcc) at RT and/or TRIP/TWIP(hcp) at 77 K in this study.

Revisiting sustainable resources in the combustion products of alumina-rich coal: Critical metal (Li, Ga, Nb, and REY) potential of ash from the Togtoh Power Plant, Inner Mongolia, China

Coal fly ash has gained much attention as a potential alternative source for extracting critical metals such as Li, Ga, Nb, and lanthanides and yttrium (REY). This study investigates their distribution characteristics and modes of occurrence in alumina-rich fly ashes from the Togtoh Power Plant in Inner Mongolia, using various analytical methods. The objective was to provide a reference for the pre-enrichment of critical metals in fly ash. Lithium is primarily present in the glass phase, and its concentration is extremely low in the crystalline phases. Lithium is mainly concentrated in “pure” aluminosilicate glass, and is present but at a low level in Ca-rich aluminosilicate glass. Gallium is primarily present in the glass phase and in corundum, while Nb mainly exists in submicron zircon particles surrounded by Si-Al-Ca glass. Lanthanides and yttrium primarily occur in the glass phase and in crystalline phases, including an intermediate phase composed of the three end-member minerals of the gorceixite-crandallite-florencite series, as well as in monazite, crystalline forms of iron oxides and REY oxides. The Li concentrations in the alumina-rich fly ashes range from 562 to 894 μg/g for Li2O, from 43.9 to 81.9 μg/g for Ga, from 58.7 to 70.6 μg/g for Nb2O5, and from 258 to 450 μg/g for REY oxides, respectively, indicating their substantial potential for resource recovery. Especially, the 2nd row fly ash has the highest contents of these metals, allowing for direct extraction without the necessity for complex pre-processing. Physical separation can further enrich Li, Ga, Nb, and REY in the fly ash. In particular, particle size separation enriches these elements in the < 20 μm size range and magnetic separation enriches Li, Ga, Nb, and REY (except Ce) in the non-magnetic fraction. However, Ce is significantly enriched in the magnetic fraction compared to the original fly ash.

Evolution of macromolecular structure during coal oxidation via FTIR, XRD and Raman

The analysis of the macromolecular structure and morphology in coal during oxidation is the basis to explore the mechanism of spontaneous combustion. To explore the evolutionary rules of coal macromolecular structure during oxidation, Fourier Transform Infrared Spectroscopy (FTIR), X-ray Diffraction (XRD), and Raman Spectroscopy (Raman) were employed to analyze the coal samples with different oxidation degrees. The results revealed that the oxidation action led to the decrease of the aliphatic structures and aromatic hydroxyl groups in coal, while promoting the formation of oxygen-containing functional groups and aromatic structures. It also led to a relative increase of free hydroxyl groups linked to hydrogen bonds. The aromatic layer spacing (d002) decreased with increasing oxidation degree, while the microcrystal stacking height (Lc), the aromatic layer diameter (La), the average number of crystal stacking layers (n) generally increased. It indicated that small aromatic ring molecules in coal could undergo continuous polymerization during oxidation to form a single aromatic layer structure. The variation of Raman spectrum parameters exhibited a consistent decreasing trend in WD/WG, ID/IG, AD/AG, and A(GR+SL)/AG value, indicating an increase in the vibration of sp2 hybridization carbon atoms within the lattice structure of coal. Conversely, PG-D, AS/AD and A(GR+VL+VR)/AD value increased overall, suggesting that small aromatic rings decreased in content during oxidation while polymerizing into larger aromatic rings. The coal structure underwent a brief stage of disordered evolution during oxidation, followed by removal of impurity structures and condensation of aromatic structures due to increasing oxidation temperatures, ultimately leading to a highly ordered crystalline state. The oxidation process significantly influenced the development of coal's aromatic structure, particularly in less metamorphic coal. The research findings provide a theoretical basis for analyzing the underlying mechanism behind spontaneous combustion induced by coal oxidation.

Electronic Band Offset in a Diamond|cBN|Diamond System for Modulation Doping

AbstractDiamond is a material with promising electronics applications but with challenges in effective doping. Cubic boron nitride (cBN), due to its similar lattice structure, is ideal for forming heterostructures with diamond, to modify electronic properties and especially shift the band positions. Here it is demonstrated how integrating cBN layers of finite thickness in diamond can induce an electronic band offset near the polarized diamond‐cBN interface. Beyond the direct density functional theory computations, an analytical model is developed for rapid examination of the band offset, for a broad number of crystallographic orientations, in excellent agreement with ab initio calculations. Results show that near [100] and [111] crystal directions, the diamond|cBN|diamond heterostructure displays a 3–4 eV band offset which is expected to facilitate effective modulation doping of diamond.

Flexible hexagonal boron nitride@liquid metal/polydimethylsiloxane composites with excellent thermal conductivity and superior mechanical properties

AbstractHexagonal boron nitride (h‐BN) has a layered lattice structure, high intrinsic thermal conductivity, and good chemical stability, and it has a promising applications in thermal management materials. However, poor interfacial compatibility and dispersion of BN flakes in the polymer matrix cause thermal contact resistance and gaps, directly impairing the performance of the composites and limiting their thermal conduction applications. Herein, the P‐BN@LM/PDMS thermally conductive composites with superior mechanical properties were fabricated by incorporating dopamine and liquid metal (LM) into BN flakes. The dopamine self‐polymerizes to form polydopamine (PDA) on the BN surface, denoted as P‐BN, which effectively improves interface compatibility and dispersion. The LM attaches to the functionalized P‐BN surface by mechanical grinding, acting as a bridge between adjacent BN flakes to enhance the integrity of the thermal conductive network within the composites. The coordination between P‐BN and LM increases interface strength, effectively improving mechanical performance. Hence, the P‐BN@LM/PDMS composites exhibit excellent thermal conductivity (4.0 W/mK) and an enhancement factor of 1373%, which is 2.22 times that of BN/PDMS composites with the same 30 wt% loading. Additionally, the composite shows superior tensile strength (2.11 MPa) and elongation at break (121%), representing 441% and 203% improvements compared with pure polydimethylsiloxane (PDMS). The P‐BN@LM/PDMS composites, with significant advantages in thermal conductivity and mechanical properties, are promising for future applications as flexible thermal interface materials in thermal management.Highlights The P‐BN@LM/PDMS composites exhibit excellent thermal conductivity (4.0 W/mK) and an enhancement factor of 1373%, making them promising for future applications as flexible thermal interface materials in thermal management. The P‐BN@LM/PDMS composites present a superior tensile strength (2.11 MPa) and elongation at break (121%). PDA formed by the self‐polymerization of dopamine on the BN surface effectively enhances interfacial compatibility and dispersion. LM attaches to the functionalized BN surface through mechanical grinding, acting as a bridge between adjacent BN flakes, thus enhancing the integrity of the thermal conductive network within the composites.

Investigation on selective laser-melted AlSi10Mg micro-struts: influence of processing parameters on dimensional accuracy, molten pool morphology and microhardness

PurposeThis study aims to address the limited understanding of the complex correlations among strut size, structural orientation and process parameters in selective laser melting (SLM)-fabricated lattice structures. By investigating the effects of crucial process parameters, strut diameter and angle on the microstructure and mechanical performance of AlSi10Mg struts, the research seeks to enhance the surface morphologies, microstructures and mechanical properties of AM lattice structures, enabling their application in various engineering fields, including medical science and space technologies.Design/methodology/approachThis comprehensive study investigates SLM-fabricated AlSi10Mg strut structures, examining the effects of process parameters, strut diameter and angle on densification behavior and microstructural characteristics. By analyzing microstructure, geometrical properties, melt pool morphology and mechanical properties using optical microscopy, scanning electron microscope, energy dispersive X-ray spectroscopy and microhardness tests, the research addresses existing gaps in knowledge on fine lattice strut elements and their impact on surface morphology and microstructure.FindingsThe study revealed that laser energy, power density and strut inclination angle significantly impact the microstructure, geometrical properties and mechanical performance of SLM-produced AlSi10Mg struts. Findings insight enable the optimization of SLM process parameters to produce lattice structures with enhanced surface morphologies, microstructures and mechanical properties, paving the way for applications in medical science and space technologies.Originality/valueThis study uniquely investigates the effects of processing parameters, strut diameter and inclination angle on SLM-fabricated AlSi10Mg struts, focusing on fine lattice strut elements with diameters as small as 200 µm. Unlike existing literature, it delves into the complex correlations among strut size, structural orientation and process parameters to understand their impact on microstructure, geometrical imperfections and mechanical properties. The study provides novel insights that contribute to the optimization of SLM process parameters, moving beyond the typically recommended guidelines from powder or machine suppliers.

P-doped MoS2 nanosheets embedded in 3D porous carbon for electrocatalytic hydrogen evolution reaction

Due to its inherent electrochemical catalytic activity, molybdenum sulfide (MoS2) is a potential electrocatalyst for hydrogen evolution reaction (HER). However, the limited exposure of its active sites resulting from the easy stacking of nanosheets and inert basal plane hampered its optimal catalytic activity. Herein, we developed a novel facile hydrothermal method to prepare phosphorus-doped MoS2 nanosheets anchored on agar-derived 3D nitrogen-doped porous carbon (P-MoS2/NC). The synthesized P-MoS2/NC electrocatalyst possesses high HER catalytic activity with a low overpotential of 167 mV at 10 mA cm−2 and a small Tafel slope of 45 mV dec−1. The excellent performance is attributed to the unique 3D network carbon structure, which avoids the stacking of the MoS2 sheets resulting in more exposed active sites. Additionally, the P atom introduced on the surface of MoS2 sheets successfully activated the in-plane inertness. This work provides an efficient strategy for designing and preparing high-quality catalysts with enhanced electrocatalytic HER activity.

Bisphosphonium Benzene Diimides.

The incorporation of cationic groups onto electron-poor compounds is a viable strategy for achieving potent electron acceptors, as evidenced by reports of air-stable radical forms of large aromatic diimides such as naphthalene and perylene diimides. These ions have also been observed to exhibit anion-π interaction tendencies of interest in molecular recognition applications. The benefits of phosphonium incorporation, however, have not yet been extended to the smallest benzene diimides. Here, we report that dibrominated pyromellitic diimide and mellophanic diimide both readily undergo substitution reactions with phosphine sources to yield bisphosphonium compounds. In the single crystalline form, these dications display anion-π interactions and, in the case of mellophanic diimide, the stabilization of a bromide-water H-bonding ring pattern. The reaction of these dications with chemical reductants readily provides the singly and doubly reduced redox states, which were characterized by UV-vis spectroscopy and found to exhibit intense absorptions extending into the near-IR region. Taken together, this work demonstrates that phosphonium incorporation onto congested aromatic diimide scaffolds is synthetically viable and produces unusual electron-poor compounds.

Generating a Multi-Material Lattice Structure through a Modified Relative Density Mapping Algorithm

Multi-material lattice structures demonstrate superior mechanical advantages and lightweight potential, enabling it preferable in many engineering fields, especially with the rise of additive manufacturing. However, employing multi-scale topology optimization inherently involves computational complexities of designing the macromaterial distribution and microlattice geometric size simultaneously. In this paper, a modified relative density mapping (MRDM) method is proposed, which generates a multi-material lattice structure by projecting the continuum multi-material topology optimization results. The proposed method extends the standard relative density mapping (RDM) method to multi-material problem and improves the performance. To achieve such purpose, a new mapping relation considering multi-material density and stress information is introduced to generate mapping weight of materials, which is the most novel contribution. Second, to avoid intersection of different materials, two types of material mapping strategies, namely continuous mapping strategy, and discrete mapping strategy, are introduced to generate multi-material lattice structure using the mapping weight of materials. Several numerical examples are exhibited, which demonstrate that the proposed method is capable of generating a multi-material lattice structure with clear material interface and good performance.

Hydrogen Bonding in Amorphous Indomethacin.

Amorphous Indomethacin has enhanced bioavailability over its crystalline forms, yet amorphous forms can still possess a wide variety of structures. Here, Empirical Potential Structure Refinement (EPSR) has been used to provide accurate molecular models on the structure of five different amorphous Indomethacin samples, that are consistent with their high-energy X-ray diffraction patterns. It is found that the majority of molecules in amorphous Indomethacin are non-bonded or bonded to one neighboring molecule via a single hydrogen bond, in contrast to the doubly bonded dimers found in the crystalline state. The EPSR models further indicate a substantial variation in hydrogen bonding between different amorphous forms, leading to a diversity of chain structures not found in any known crystal structures. The majority of hydrogen bonds are associated with the carboxylic acid group, although a significant number of amide hydrogen bonding interactions are also found in the models. Evidence of some dipole-dipole interactions are also observed in the more structurally ordered models. The results are consistent with a distribution of Z-isomer intramolecular type conformations in the more disordered structures, that distort when stronger intermolecular hydrogen bonding occurs. The findings are supported by 1H and 2H NMR studies of the hydrogen bond dynamics in amorphous Indomethacin.

Maximizing Potential Applications of MAX Phases: Sustainable Synthesis of Multielement Ti3AlC2.

This study employs the molten-salt-shielded method to dope the Ti3AlC2 MAX phase with Nb and Mo, aiming to expand the intrinsic potential of the material. X-ray diffraction confirms the preservation of the hexagonal lattice structure of Ti3AlC2, while Raman and X-ray photoelectron spectroscopic analyses reveal the successful incorporation of dopants with subtle yet significant alterations in the vibrational modes and chemical environment. Scanning electron microscopy with energy-dispersive X-ray spectroscopy characterizations illustrate the characteristic layered morphology and uniform dopant distribution. Density functional theory simulations provide insights into the modified electronic structure, displaying changes in carrier transport mechanisms and potential increases in metallic conductivity, particularly when doping occurs at both the M and A sites. The computational findings are corroborated by the experimental results, suggesting that the enhanced material may possess improved properties for electronic applications. This comprehensive approach not only expands the MAX phase family but also tailors its functionality, which could allow for the production of hybrid materials with novel functionalities not present in the pristine form.

Achieving excellent mechanical and robust lubrication behavior in the CoCrNi medium-entropy alloy via in-situ graphite

The unsatisfactory wear resistance and lubrication performance of CoCrNi multi-principal elements alloys (MPEAs) have emerged as critical challenges, impeding their extensive utilization as advanced engineering materials, despite their desirable mechanical and physical properties. Incorporating graphite to obtain MPEAs-based self-lubricating composites is believed to improve the wear resistance. However, it is challenging to prepare composites with high strength, large plasticity, and excellent anti-friction performance simultaneously. The present study reports the fabrication of novel CoCrNi MPEA-based self-lubricating composites, consisting of in-situ graphite and high-hardness silicides/carbides as reinforcement, prepared by powder metallurgy and reactive sintering. The 20.6 vol% Gr@CoCrNi–SiC composite exhibits an optimal trade-off between strength and ductility, along with anti-friction and wear resistance which is superior to the reported composites with different solid lubricants. The wear mechanism is attributed to the coordinated deformation mechanism between the CoCrNi FCC matrix and silicides/carbides, and the stabile lubrication effect supported by the structural transformation from the original polycrystalline lattice structure to core-shell nanocomposite structure (similar to diamond-like carbon) of the in-situ graphite. This simple, economical and practical strategy contributes to the development of MPEA self-lubricating composites with excellent comprehensive properties.

Interplay between Structural, Electronic, and Magnetic Properties in the p0-d Semi-Heusler Compounds: The Case of Li-Based Compounds

Half-metallic semi-Heusler compounds (also known as half-Heusler compounds) are currently at the forefront of scientific research due to their potential applications in spintronic devices. Unlike other semi-Heuslers, the p0(d0)-d compounds do not appear to crystallize in the typical variant of the C1b structure. We investigate this phenomenon in the p0-d Heusler compounds LiYGa and LiYGe, where Y varies between Ca and Zn, using first-principles ab initio electronic band-structure calculations. We examine the electronic and magnetic properties of these compounds in relation to the three possible C1b structures. Notably, LiVGa, LiVGe, LiMnGa, and LiCrGe are half-metallic ferromagnets across all three variations of the C1b lattice structure. Our findings will serve as a foundation for future experimental studies on these compounds.