Doping Elements Research Articles

Structural evolution mechanism and magnetic properties of soft magnetic composites transformed from FeSiAl/Co3O4 composites

Simultaneous optimization of core loss and saturation magnetization in soft magnetic composites (SMCs) is crucial for the development of high frequency and high power in power electronic devices. In this work, FeSiAl/(Al2O3-Co) and FeSiAlCo/Al2O3 SMCs were prepared by sintering FeSiAl/Co3O4 composite powders at different temperatures. The corresponding structural evolution mechanism and magnetic properties of the prepared SMCs were studied systematically. When the sintering temperature was below 950 ℃, a chemical reaction at the FeSiAl/Co3O4 interface occurred and led to the formation of Al2O3-Co composite coating. The Al2O3 coating, as an isolation band, can effectively hinder the interdiffusion between Co coating and FeSiAl magnetic powder. When the sintering temperature increased to above 1000 ℃, the interdiffusion began to occur and was accelerated by the high temperature and chemical potential educed by concentration gradient, finally resulting in the formation of FeSiAlCo alloy. The prepares SMCs exhibited a low core loss due to the high integrity of Al2O3 coating. Its saturation magnetization and permeability significantly increased with the sintering temperature due to the generation of Co coating with ferromagnetism. This work provides a new strategy for the construction of ceramic oxide coating with high integrity and elemental doping of magnetic powder in SMCs, which is expected to be applied to the preparation of high-performance SMCs.

Study on Ca-doping effects and structural stability in Bi2Sr2-xCaxCuO6+δ (0 ≤ x ≤ 1.2) compounds by Rietveld refinement and high-pressure Raman spectroscopy

The lattice distortion induced by element doping is regarded as an effective approach to improve the superconductivity of Bi-based superconductors. In this study, a series of Bi2Sr2-xCaxCuO6+δ (x = 0, 0.2, 0.4, 0.6, 0.8, 1.0 and 1.2) ceramic samples are prepared by Pechini sol-gel method. The Ca-doping effects, structural stability and superconductivity of Bi-2201 phase are studied by electron microscopy, high-pressure Raman spectroscopy, the standard four-probe technique, X-ray diffraction and Rietveld refinements. Results indicate that all samples are constituted by Bi-2201 main phase and Ca8.56Sr5.44Bi16O38 impurity. It can be determined that Ca atoms have entered Bi-2201 orthorhombic lattice and preferentially occupied the Sr-sites. When Ca atoms are introduced and high-pressure is exerted, the Bi-2201 lattice can present a relatively high structural stability. Meanwhile, the correlations between doping amount x, Cu–O–Cu bond angle (θ), carrier concentration of CuO2 planes and superconducting onset transition temperature (Tc,onset) are discussed particularly. It should be noted that the Bi-2201 lattice has the largest θ, the highest carrier concentration and the highest Tc,onset value of 84.98 K when x = 0.8.

Phase structure evolution and its effect on magnetic and mechanical properties of B-doped Sm2Co17-type magnets with high Fe content

Abstract The unique cellular microstructure of Fe-rich Sm2Co17-type permanent magnets is closely associated with the structure of the solid solution precursor. We investigate the phase structure, magnetic properties, and mechanical behavior of B-doped Sm2Co17-type magnets with high Fe content. The doped B atoms can diffuse into the interstitial vacancy, resulting in lattice expansion and promote the homogenization of the phase organizational structure during the solid solution treatment in theory. However, the resulting second phase plays a dominant role to result in more microtwin structures and highly ordered 2 : 17R phases in the solid solution stage, which inhibits the ordering transformation of 1 : 7H phase during aging and affects the generation of the cellular structure, and to result in a decrease in magnetic properties, yet the interface formed between it and the matrix phase hinders the movement of dislocations and enhances the mechanical properties. Hence, the precipitation of high flexural strain grain boundary phase induced by B element doping is also a new and effective way to improve the flexural strain of Sm2Co17-type magnets. Our study provides a new understanding of the phase structure evolution and its effect on the magnetic and mechanical properties of Sm2Co17-type magnets with high Fe content.

DFT study on doping effect of different transition metals on MoS2 for enhancing the formation of S vacancies

MoS2 modification by doping transition metals is an effective way to change the Mo–S bond energy by taking advantage of the electronic variability of the d orbitals of transition metals. Herein, this study investigates the doping effect of different transition metals onto MoS2 edge sites through DFT calculations. To screen out the metal additive effect, different transition metals were doped to the MoS2 edge sites to see the effect on generating S vacancies that were generally regarded as the active sites. DFT simulation results proved that the ability of the valence electrons to populate the orbitals with the greatest overlap with the orientation of the edge Mo–S bond was a major factor in how simple it was to create S vacancies at the Mo-edge and S-edge sites. For the transition metals, the vacancy formation energy increases with the increase of periodic number for the same group, while decreases with the increase of the atomic weight for the same period. This implied that the upper right corner transition metals in the Periodic Table could be selected to modify MoS2 to obtain the minimum vacancy formation energy. Therefore, nickel and cobalt are the best choice as the doping element for modifying MoS2.

Effect of Zr, Sm and Gd Doped CoFe2O4 on Structural, Spectral and Magnetic Properties

In this work, cobalt composite nano ferrites with chemical formula CoZr0.05-xRExFe1.95O4 (x = 0 and 0.025 and RE = Sm, Gd) were prepared using sol-gel synthesis method and studied structural, optical and magnetic properties of them. The Rietveld assessment of XRD data validated the emergence of a single-phase cubic spinel configuration for all compounds. SEM has been used to study the surface morphology of the compounds. Energy gap has been estimated and the values are 2 eV, 1.8 eV and 1.6 eV for CoZr0.05Fe2O4, CoZr0.025Sm0.025 Fe1.95O4, and CoZr0.025Gd0.025 Fe1.95O4 compounds respectively. FTIR and Raman spectra confirmed the structure with the appearance of standard modes. The RE replacement in CoFe2O4 ferrites has an intense impact on magnetic properties. With the substitution of Sm3+ and Gd3+ ions in cobalt-zirconium ferrite, there is a reduction in saturation magnetization (55 emu g−1 of CoZr0.05Fe2O4 reduced to 25 emu g−1 for Gd3+ and to 29 emu gm−1 for Sm3+) as the size of crystallites decreases. A decrease in crystallite size correlates with an increase in the number of spin disorder occurrences in rare Earth-substituted cobalt-zirconium ferrite nanoparticles Further, the decrease in coercivity (2440 Oe of CoZr0.05Fe2O4 reduced to 720 Oe for Gd3+ and to 29 Oe for Sm3+ with rare Earth element doping is due to the crystallite size and large lattice distortion showed an enhancement of magnetocrystalline anisotropy field which effects a shift of resonance frequencies from higher frequencies which is good for the memory storage devices.

Constructing Multi-Electron Reactions by Doping Mn2+ to Increase Capacity and Stability in K3.2V2.8Mn0.2(PO4)4/C of Phosphate Cathodes for Potassium-Ion Batteries.

Vanadium-based phosphate cathode materials (e.g., K3V2(PO4)3) have attracted widespread concentration in cathode materials in potassium-ion batteries owing to their stable structure but suffer from low capacity and poor conductivity. In this work, an element doping strategy is applied to promote its electrochemical performance so that K3.2V2.8Mn0.2(PO4)4/C is prepared via a simple sol-gel method. The heterovalent Mn2+ is introduced to stimulated multiple electron reactions to improve conductivity and capacity, as well as interlayer spacing. Galvanostatic intermittent titration technique (GITT) and in situ X-ray diffraction results further confirm that Mn-doping in the original electrode can obtain superior electrode process kinetics and structural stability. The prepared K3.2V2.8Mn0.2(PO4)4/C exhibits a high-capacity retention of 80.8% after 1500 cycles at 2 C and an impressive rate capability, with discharge capacities of 87.6 at 0.2 C and 45.4mA h g-1 at 5 C, which is superior to the majority of reported vanadium-based phosphate cathode materials. When coupled K3.2V2.8Mn0.2(PO4)4/C cathode with commercial porous carbon (PC) anode as the full cell, a prominent energy density of 175Wh kg-1 is achieved based on the total active mass. Overall, this study provides an effective strategy for meliorating the cycling stability and capacity of the polyanion cathodes for KIB.

Effects of high valency and polarizability ion (W6+) on the phase evolution of CaZr1–2xLn2xTi2–xWxO7 zirconolite-based solid solution (Ln = Nd, Sm, Gd, Ho, Yb)

Zirconolite-based structures have served as robust matrices for the incorporation of minor actinide-rich high-level waste (HLW). The co-doping effects are critical for exploring the phase evolution of zirconolite-based structures, thereby providing a guide for HLW immobilization. Nevertheless, few studies have studied the synergistic effect of high valent ion W6+ and Lanthanides (Ln, surrogates to minor actinides) co-doping. This study proposed a systematical study on the Ln-W (Ln = Nd, Sm, Gd, Ho, Yb) co-doping in zirconolite-derived structure using X-ray diffraction (XRD) and scanning electron microscope with energy dispersive X-ray spectroscopy (SEM-EDX). The results showed that near-single-phase zirconolite-2M was recorded for samples with low level doping of Ln-W (Nd–W, Sm–W and Gd–W with x = 0.05; Ho–W and Yb–W with x = 0.05–0.1), and its structure underwent a moderate expansion along the c-axis, as revealed by a Pawley refinement method. One key finding is that near-single-phase zirconolite-2M was recorded for samples with low level doping of Ln-W (Nd–W, Sm–W and Gd–W with x = 0.05; Ho–W and Yb–W with x = 0.05–0.1), and its structure underwent a moderate expansion along the c-axis, as revealed by a Pawley refinement method. Notably, in addition to a transformation from zirconolite-2M to pyrochlore, a pseudo-yellow phase CaWO4 was also noted with increasing co-doping contents. This work demonstrates that the high charge compensator W6+ and lanthanides can be simultaneously incorporated into zirconolite structure, and a different phase transformation was revealed compared to that in low valent element doping system, which gives a new insight into the optimization of HLW immobilization route.

Enhanced Optoelectronic Performance of p-WSe2/Re0.12W0.42Mo0.46S2 Heterojunction.

Stacking of van der Waals (vdW) heterostructures and chemical element doping have emerged as crucial methods for enhancing the performance of semiconductors. This study proposes a novel strategy for modifying heterostructures by codoping MoS2 with two elements, Re and W, resulting in the construction of a RexWyMo1-x-yS2/WSe2 heterostructure for the preparation of photodetectors. This approach incorporates multiple strategies to enhance the performance, including hybrid stacking of materials, type-II band alignment, and regulation of element doping. As a result, the RexWyMo1-x-yS2/WSe2 devices demonstrate exceptional performance, including high photoresponsivity (1550.22 A/W), high detectivity (8.17 × 1013 Jones), and fast response speed (rise/fall time, 190 ms/1.42 s). Moreover, the ability to tune the band gap through element doping enables spectral response in the ultraviolet (UV), visible light, and near-infrared (NIR) regions. This heterostructure fabrication scheme highlights the high sensitivity and potential applications of vdW heterostructure (vdWH) in optoelectronic devices.

Doping strategies for β-Ga2O3 based on high-throughput first-principles calculations

β-Ga2O3 is a promising material for advanced optoelectronic semiconductors due to its wide bandgap and high breakdown voltage. However, achieving efficient p-type doping remains a challenge. This investigation employs high-throughput (HT) first-principles calculations to explore doping effects in β-Ga2O3 systematically. The results of HT first-principles calculations indicate that changes in the Fermi levels (EF) can reflect the type of dopant elements. We systematically evaluated nine candidate dopants using GGA+U calculations. Through analysis of the (0/−1) transition levels, the ability to form shallow acceptors gradually decreases in the order of Zn, Mg, Cu, Hg, and Ag. Interestingly, due to the GGA+U optimization process considering electron correlation and localization effects, Mg-doped β-Ga2O3 exhibits an impurity level near the conduction band minimum (CBM), contributed by Mg2p and O2p orbitals. Mulliken population analysis reveals that Cu exhibits the highest charge density after doping compared to Hg, Zn, and Mg. Additionally, Ag-doped β-Ga2O3 shows potential for UV device applications within the 200 nm to 280 nm spectrum. The insights from this study delineate effective p-type doping strategies for β-Ga2O3, contributing to the advancement of optoelectronic device development involving semiconductors.

Simultaneously Improving Energy Storage and Oxygen Evolution Reaction by Causing Regional Defects in MOF-on-MOF Derived Hollow Se-Doped CoP-Fe2P Heterojunctions.

Doping heteroatoms into metal phosphides to modify their electronic structure is an effective method, but the incomplete exposure of active sites is its inherent drawback. In this experiment, both Se doping and P vacancies are simultaneously introduced into CoP-Fe2P (named CoFe-P-Se) to enhance the internal reactivity. Benefiting from the unique hollow porous structure derived from the MOF-on-MOF template, as well as the enhanced intrinsic activity achieved by P defects and Se doping, CoFe-P-Se exhibits a high specific capacitance of 8.41 F cm-2 at a current density of 2 mA cm-2 when used as a supercapacitor electrode. When assembled into a hybrid supercapacitor with activated carbon, the energy density reaches 0.488 mWh cm-2 at a power density of 1.534 mW cm-2, and the capacity retention after 5000 charge-discharge cycles is as high as 90.65%. As an oxygen evolution reaction (OER) electrode, the CoFe-P-Se electrode shows a low overpotential of only 230 mV at a current density of 10 mA cm-2 and 278 mV at 100 mA cm-2. Additionally, it exhibits excellent stability for over 50 h at a current density of 100 mA cm-2. The designed element doping and vacancy engineering in this work will provide an insight for constructing high-performance electrodes.

Effect of Pb-site doping on the structure, electronic and mechanical properties of CsPbI3 perovskite: A first-principles study

CsPbI3 has received a great deal of attention as the light-harvesting component of pure inorganic perovskite solar cells (PSCs). It is revealed that Pb-site doping is an effective way to enhance the electrical and optical properties of CsPbI3 compared with other methods. In this study, within the framework of the density functional theory (DFT), first-principles method was used to investigate different Pb-site ionic doping effect on the structural, mechanical, electrical, and optical properties of CsPbI3. We considered totally 11 doping elements, each with a doping concentration of 12.5 % (denoted as CsPb0.875M0.125I3, M is the doping element). The results revealed that all the doping systems are structurally stable with decreased bandgap values compared with the pristine CsPbI3. CsPb0.875M0.125I3 (M=Ge, Sn) exhibits similar behavior to CsPbI3, while CsPb0.875M0.125I3 (M= As, Sb, Bi) series present electron-doping character and CsPb0.875M0.125I3 (M=Ga, In, Tl) shows hole-doping effect. Mechanically, all the other elements mono-doped CsPbI3 satisfy the stability requirement except CsPb0.875Ga0.125I3. Moreover, most of doping systems show enhanced the absorption strength in the visible light region. By synthetically considering the mechanical, electronic and optical properties, it is suggested that CsPb0.875M0.125I3 (M=Sb, Fe) exhibit relatively superior characteristics compared with pristine and other elements mono-doped CsPbI3. Results obtained in the present work may provide valuable guidance for the synthesis and the performance refinement of all-inorganic CsPbI3-based PSCs in the future.

Investigation on the interface properties of Be-Al alloys via first-principles calculation

In this paper, the Be/Al pure interface is constructed using First-principles calculation. Among the six interface structures, the interface adhesion work calculation results show that the Be (001)/Al (100) interface has the largest adhesion work (2.48 J/m2), which proves that the Be (001)/Al (100) interface is the most stable interface structure. Also, the Be (001)/Al (100) composite interface structure doping elements of Ni, Ag, Co and Ge was constructed. The results of segregation heat and interface adhesion work calculation showed that the addition of Ni, Ag and Co was beneficial to the improvement of the Be (001)/Al (100) interface strength. The doping effect of Ag and Co is similar, followed by Ni, and the doping of Ge leads to the degradation of interface properties. The calculation results of the partial density of states (PDOS) and the charge density difference show that in the pure Be (001)/Al (100) interface structure, a metallic bond is formed between Be and Al atoms near the interface. With the introduction of doping elements, the charge between Be and Al atoms is redistributed. A stronger new metal bond of Be-X or Al-X (X=Ni, Ag, Co) is formed, but the doping of Ge elements forms a weaker Be-Ge metal bond, which is not conducive to the performance improvement of Be-Al alloys.

Investigation of cation doping on the structure and electrochemical properties of K0.5MnO2 cathode materials based on first-principles calculation

In an effort to find high-energy-density and high-mobility cathode material for K-Ion batteries, this paper presents a systematic study of multiple doping concentrations of P3-type K0.5Mn1-xMxO2 (M = Fe, Ti, and Cu) materials using first-principles approach. The most thermodynamically stable phase of each material is predicted by the formation of mixing enthalpy, and the optimal doping concentration of each doping element is screened. It is found that the redox activity of K0.5Mn1-xMxO2 is derived from the anion redox of O2−/O1− during depotassium. At the same time, doped Mn-based cathode materials have the characteristics of large capacity, stable structure, good thermal stability and small diffusion energy barrier. Among them, Fe doping will promote the charge compensation of O 2p-electrons in the intercalation process and reduce the Jahn-Teller distortion caused by Mn3+ (ratio < 46.67 %). Ti doping can improve the lattice stability of O, inhibit the precipitation reaction of oxygen, make TiO more covalent, and reduce the structural change during depotassium. Therefore, the overall thermal stability of the material is improved. Cu doping reduces the diffusion barrier of the material (0.54 eV). Through the basic understanding of the redox reaction mechanism in K0.5Mn1-xMxO2, the work of this paper lays a foundation for the rational design of high-performance K-ion batteries.

Extending the upper limit of volumetric fraction of oxides in ODS-Cu fabricated with internal oxidation via element doping

In general, when the oxide content is controlled within 5 wt%, increasing the content of oxides is crucial for improving the strength, hardness, and wear resistance of oxide dispersion strengthened copper alloy (ODS-Cu). However, the oxide content of commercially available ODS-Cu fabricated with internal oxidation (e.g. Glidcop-60) is limited to 1.1 wt% due to the adverse effects of irregular growth of oxide particles on overall properties when the oxide content increases. In this study, we introduced oxide particles into Cu matrix via internal oxidation of Cu-Al and Cu-Al-Ti alloys using Rhines-pack method. The origin of irregular oxide particles, oxide bands and healing layers formed in the oxidized layer of the ODS-Cu alloys with high oxide content was revealed. Furthermore, it is found that the doping of Ti can effectively suppress the growth of irregular oxide particles and the formation of oxide bands. In the specimens with a Ti/Al molar ratio of 0.28, Ti has a better inhibitory effect on oxide particle coarsening, and this inhibitory effect is more pronounced when ODS-Cu containing higher oxide content. Compared to Cu-0.6 %Al alloy, the average occurrence and length fraction of oxide bands in Cu-0.6 %Al-0.3 %Ti alloy are significantly reduced (by 81 % and 95 % respectively), and the fraction of oxide particles smaller than 20 nm is significantly increased (from 5 % to 76 %). This Ti-doping strategy solves the dilemma in increasing the oxide content in ODS-Cu produced by internal oxidation, and also provides the possibility for industrial production of high oxide volumetric fraction ODS-Cu with internal oxidation.

Innovative study and analysis on MAX phase (Ti3AlC2) A-layer atom solid solution with potential A site doped elements

“Ti3AlC2, a member of the Mn+1AXn ceramic phases, demonstrates outstanding oxidation resistance, high specific stiffness, excellent corrosion resistance, and thermal conductivity. This research delves into the A-site solid-solution treatment of Ti3AlC2, with a specific focus on 18 elements derived from the main and subgroups of the periodic table. These elements, such as Pb, As, Si, S, Sb, P, Ir, Ge, Sn, Fe, Au, Co, Cu, Ni, In, Zn, and Ga, are all considered potential candidates for the A site.The enthalpies of formation of the Ti3(Al0.5A0.5)C2 compounds were determined to be negative, suggesting that these compounds can be synthesized through exothermic reactions. This finding highlights the improved formation capability when a specific A atom substitutes for an Al atom. Notably, Ti3(Al0.5Ir0.5)C2 exhibited the highest formation efficiency, as evidenced by its significantly higher absolute value of heat of formation compared to the other compounds.The electronic structures of all the compounds indicated that the energy bands became broader and showed improved electrical conductivity when the active element replaced the Al atomic position. In particular, the substitution of Al atomic positions in Ti3AlC2 with main group elements such as Si, Ge, and As, as well as B group elements such as Fe, Co, and Ir, leads to the formation of stronger bonds between Ti atoms, thereby creating a more stable structure.The substitution of Al atoms with Si, Ge, As, Fe, Co, and Ir atoms in Ti3(Al0.5A0.5)C2 was found to improve the resistance of the material to compressive deformation. This substitution also resulted in a decrease in the hardness of the Ti3AlC2 ceramic material but enhanced its ductility.

Phosphorus and sulfur co-doped nickel molybdate with rich-oxygen vacancies for efficient water splitting

The rational design of high-performance electrocatalysts is essential for promoting the industrialization of electrocatalytic water-splitting technology. Herein, phosphorus and sulfur co-doped nickel molybdate with rich-oxygen vacancies (P, S-NiMoO4) was prepared as an efficient bifunctional self-supporting water-splitting catalyst from the perspective of enhancing the conductivity and optimizing the electronic configurations. The incorporation of P, S and oxygen vacancies greatly enhances the conductivity and charge-transfer efficiency of NiMoO4. Additionally, P and S can serve as proton carriers and electron acceptors to enhance the catalytic activity by accelerating proton activation and high-valent metal generation in the hydrogen evolution reaction (HER) and oxygen evolution reaction (OER). As expected, P, S-NiMoO4 demonstrates efficient bifunctional catalytic activity with an overpotential of only 31/206 mV at 10 mA cm−2 for HER/OER in 1 M KOH. Meantime, the electrolyzer assembled with P, S-NiMoO4 as electrodes requires a voltage of only 1.55 V to achieve a water-splitting current density of 50 mA cm−2 along with good stability over 110 h. This work puts forward a novel approach based on elemental doping and vacancy engineering for the design of effective and enduring catalysts for water splitting.

Highly stable silicon oxycarbide all-solid-state batteries enabled by machined learning accelerated screening of oxides and sulfides electrolytes

Traditional trial–error approach severely limits and restricts rapid development of high-performance anode and electrolytes materials, searching huge parameters space of various anode-solid electrolyte interfaces in an effective and efficient way is the key issue. Here, a novel computational strategy combining machine learning and first-principles is proposed to achieve efficient high-throughput screening of oxides and sulfides electrolytes for highly stable silicon oxycarbide all-solid-state batteries. First-principles calculations demonstrate significant compact of material type and elemental doping on interfacial compatibility between silicon oxycarbide and various electrolytes. By proposing several novel descriptors including interfacial adhesion and formation energies of frozen system with low computation cost, the amounts of demanded trainings data are significantly reduced. Gradient-boosted regression tree model shows low mean absolute errors of 0.09 and high R2 value of 0.99 for the prediction of interface formation energy, demonstrating ultrahigh accuracy and reliability of the algorithm. The present work discovers a series of uninvestigated stable anode-solid electrolytes interfacial couples for further experimental preparation.

Band Structure Calculations, Magnetic Properties and Magnetocaloric Effect of GdCo1.8M0.2 Compounds with M = Fe, Mn, Cu, Al

The magnetic properties, band structure results, and magnetocaloric effect of GdCo1.8M0.2 with M = Fe, Mn, Cu, and Al are reported. The band structure calculations demonstrate that all the samples have a ferrimagnetically ordered ground state, in perfect agreement with the magnetic measurements. Calculated magnetic moments and variation with the alloy composition are strongly influenced by hybridisation mechanisms as sustained by an analysis of the orbital projected local density of states. The XPS measurements reveal no significant shift in the binding energy of the investigated Co core levels with a change in the dopant element. The Co 3s core-level spectra gave us direct evidence of the local magnetic moments on Co sites and an average magnetic moment of 1.3 µB /atom was found, being in good agreement with the theoretical estimation and magnetic measurements. From the Mn 3s core-level spectra, a value of 2.1 µB/Mn was obtained. The symmetric shapes of magnetic entropy changes, the Arrott plots, and the temperature dependence of Landau coefficients clearly indicate a second-order phase transition. The relative cooling power, RCP(S), normalized relative cooling power, RCP(∆S)/∆B, and temperature-averaged entropy change values indicate that these compounds could be promising candidates for applications in magnetic refrigeration devices.

Multi-doping effect on the martensitic transformation behavior of shape memory alloys

Incorporating various elements into host shape memory alloys (SMAs) has proven to be an effective strategy for optimizing their functional properties. However, modeling the complex multi-doping effect is challenging. In the present study, we introduced a phenomenological model based on Ginzburg–Landau theory, wherein each doping element is conceptualized as an internal dilatational stress. This internal stress is represented as a spatial Gaussian distribution characterized by two influential parameters: potency (h) and range (σ). The interaction between doping elements arises from the superposition of these stresses. Utilizing a time-dependent Ginzburg–Landau simulation based on our proposed model, diverse combinations of h and σ replicate the varied experimental outcomes associated with multi-doping effects. This model offers insight into the understanding of the doping impact on martensitic transformation and may contribute to the development of SMAs with tailored properties.

Rod-Shaped Mesoporous Zinc-Containing Bioactive Glass Nanoparticles: Structural, Physico-Chemical, Antioxidant, and Immuno-Regulation Properties.

Bioactive glass nanoparticles (BGNs) are applied widely in tissue regeneration. Varied micro/nanostructures and components of BGNs have been designed for different applications. In the present study, nanorod-shaped mesoporous zinc-containing bioactive glass nanoparticles (ZnRBGNs) were designed and developed to form the bioactive content of composite materials for hard/soft tissue repair and regeneration. The nanostructure and components of the ZnRBGNs were characterized, as were their cytocompatibility and radical-scavenging activity in the presence/absence of cells and their ability to modulate macrophage polarization. The ZnRBGNs possessed a uniform rod shape (length ≈ 500 nm; width ≈ 150 nm) with a mesoporous structure (diameter ≈ 2.4 nm). The leaching liquid of the nanorods at a concentration below 0.5 mg/mL resulted in no cytotoxicity. More significant improvements in the antioxidant and M1-polarization-inhibiting effects and the promotion of M2 polarization were found when culturing the cells with the ZnRBGNs compared to when culturing them with the RBGNs. The doping of the Zn element in RBGNs may lead to improved antioxidant and anti-inflammatory effects, which may be beneficial in tissue regeneration/repair.