Molecular dynamics study of primary radiation damage in TiVTa concentrated solid-solution alloy

The primary radiation damage in pure V and TiVTa concentrated solid-solution alloy(CSA)was studied using a molecular dynamics method.We have performed displacement cascade simulations to explore the generation and evolution behavior of irradiation defects.The results demonstrate that the defect accumulation and agglomeration in TiVTa CSA are significantly suppressed compared to pure V.The peak value of Frenkel pairs during cascade collisions in TiVTa CSA is much higher than that in pure V due to the lower formation energy of point defects.Meanwhile,the longer lifetime of the thermal spike relaxation and slow energy dissipation capability of TiVTa CSA can facilitate the recombination of point defects.The defect agglomeration rate in TiVTa CSA is much lower due to the lower binding energy of interstitial clusters and reduced interstitial diffusivity.Furthermore,the occurrence probability of dislocation loops in TiVTa CSA is lower than that in pure V.The reduction in primary radiation damage may enhance the radiation resistance of TiVTa CSA,and the improved radiation tolerance is primarily attributed to the relaxation stage and long-term defect evolution rather than the ballistic stage.These results can provide fundamental insights into irradiation-induced defects evolution in refractory CSAs.

Effect of component substitution on the microstructure and mechanical properties of MCoCrFeNiTi_x (M = Cu, Al) solid-solution alloys

MCoCrFeNiTix （M = Cu, Al; x： molar ratio, x = 0, 0.5） alloys were prepared using the new alloy-design strategy of equal-atomic ratio and high entropy. By the component substitution orAl for Cu, the microstructure changes from the face-centered cubic solid solution of original CuCoCrFeNiTix alloys to the body-centered cubic solid solution of AlCoCrFeNiTix alloys. Compared with original CuCoCrFeNiTix alloys, AlCoCrFeNiTix alloys keep the similar good ductility and simultaneously possess a much higher compressive strength, which are even superior to most of the reported high-strength alloys like bulk metallic glasses.

Effects of Ni content on the cast and solid-solution microstructures of Cu-0.4wt% Be alloys

The effects of Ni content（0–2.1wt%）on the cast and solid-solution microstructures of Cu-0.4wt%Be alloys were investigated,and the corresponding mechanisms of influence were analyzed.The results show that the amount of precipitated phase increases in the cast alloys with increasing Ni content.When the Ni content is 0.45wt%or 0.98wt%,needle-like Be_（21）Ni_5 phases form in the grains and are mainly distributed in the interdendritic regions.When the Ni content is 1.5wt%or greater,a large number of needle-like precipitates form in the grains and chain-like Be_（21）Ni_5 and Be Ni precipitates form along the grain boundaries.The addition of Ni can substantially refine the cast and solid-solution microstructures of Cu-0.4wt%Be alloys.The hindering effects of both the dissolution of Ni into the matrix and the formation of Be–Ni precipitates on grain-boundary migration are mainly responsible for refining the cast and solid-solution microstructures of Cu-0.4wt%Be alloys.Higher Ni contents result in finer microstructures;however,given the precipitation characteristics of Be–Ni phases and their dissolution into the matrix during the solid-solution treatment,the upper limit of the Ni content is 1.5wt%–2.1wt%.

Effect of solid-solution temperature on the microstructure of Fe-Ni based high strength low thermal expansion (HSLTE) alloy

The influence of solid-solution temperature on the dissolution of carbide precipitates, the average grain size and the microhardness of the austenite matrix in an Fe-Ni based high strength low thermal expansion （HSLTE） alloy was investigated to obtain the proper temperature range of the solid-solution process. The XRD analysis, microstructure observations, and the theoretical calculations showed that the Mo-rich M2C-type precipitates in the Fe-Ni based HSLTE alloy dissolve completely at about 1100℃. The average grain size of the studied alloys increases from 14 to 46 μm in the temperature range of 1050 to 1200℃. The microhardness of the matrix decreases gust for the sake of solid-solution treatment, but then increases later with increasing solution temperature because of the solution strengthening effect.

The Role of Nd Solid-Solution and Grain-Boundary Segregation in Binary NiAl Intermetallic Compound

The role of Nd solid-solution and grain-boundary segregation in binary NiAl alloy was studied based on microhardness and compressive macrostrain. X-ray and Auger spectra studies indicate that Nd not only is soluble in grain interiors, but also segregates to the grain boundaries. Nd solid-solution induces an increase of the microhardness from 269 to 290 HV in grain interiors and segregation results in an enhancement of hardness from 252 to 342 HV on grain boundaries. Thus, the cohesion of grain boundaries is enhanced by Nd segregation, which make the alloy doped with 0.05 wt pct Nd exhibit more compressive microstrain, i.e. the higher the compressive ductility at room temperature, the better the final surface condition at elevated temperature. Finally, a discussion was made on the reason that Nd strengthens the grain boundaries in NiAl intermetallic alloy.

Effect of Heating Temperature on the Grain Size and Titanium Solid-Solution of Titanium Microalloyed Steels

Through studying on the heating process of titanium microalloyed steels, the influence of heating temperature on the austenite grain size and the solid dissolution, precipitation law of Ti microalloying element were analyzed, and the results showed that, the austenite grain size increased with the increase of heating temperature, When the heating temperature reached 1050°C and 1250°C, the austenite grains appeared the obvious coarsening process twice. TiC particles dissolved gradually as the heating temperature increased. When the heating temperature rose to 1100°C, TiC particles disappeared basically, When the heating temperature rose to 1250°C, TiN particles began to be dissolved and grow up.

Constructing Built-In Electric Fields with Semiconductor Junctions and Schottky Junctions Based on Mo-MXene/Mo-Metal Sulfides for Electromagnetic Response

The exploration of novel multivariate heterostructures has emerged as a pivotal strategy for developing high-performance electromagnetic wave(EMW)absorption materials.However,the loss mechanism in traditional heterostructures is relatively simple,guided by empirical observations,and is not monotonous.In this work,we presented a novel semiconductor-semiconductor-metal heterostructure sys-tem,Mo-MXene/Mo-metal sulfides(metal=Sn,Fe,Mn,Co,Ni,Zn,and Cu),including semiconductor junctions and Mott-Schottky junctions.By skillfully combining these distinct functional components(Mo-MXene,MoS_(2),metal sulfides),we can engineer a multiple heterogeneous interface with superior absorption capabilities,broad effective absorption bandwidths,and ultrathin matching thickness.The successful establishment of semiconductor-semiconductor-metal heterostructures gives rise to a built-in electric field that intensifies electron transfer,as confirmed by density functional theory,which collaborates with multiple dielectric polarization mechanisms to substantially amplify EMW absorption.We detailed a successful synthesis of a series of Mo-MXene/Mo-metal sulfides featuring both semiconductor-semiconductor and semiconductor-metal interfaces.The achievements were most pronounced in Mo-MXene/Mo-Sn sulfide,which achieved remarkable reflection loss values of-70.6 dB at a matching thickness of only 1.885 mm.Radar cross-section calculations indicate that these MXene/Mo-metal sulfides have tremendous potential in practical military stealth technology.This work marks a departure from conventional component design limitations and presents a novel pathway for the creation of advanced MXene-based composites with potent EMW absorption capabilities.

Heat treatment/property relationships for solid-solution strengthened superalloys

Solid-solution strengthened superalloys are widely used because they possess excellent levels of high temperature strength and environmental resistance in combination with ease of fabrication.This latter factor is of utmost importance since it is a primary economic determinant.From a metal producer's point of view,it determines the viable range of product forms that can be offered to the marketplace.From a user's point of view,it determines the viable range of manufacturing processes that can be used to make the final product.For both the producer and user,an alloy's heat treatment and property response is a central issue for defining fabricability.The areas of interest are typically quite fundamental and include such phenomena as recrystallization and grain growth,critical strain effects,relief of residual stresses,and cooling rate effects.In heat resisting alloys,these phenomena often involve subtle complexities due to the precipitation of carbides and,in some cases,the precipitation of intermetallic phases. This paper will deal with these complexities,providing relevant data and concrete examples wherever possible.The information presented should enable the proper selection of heat treatment practices for solid-solution strengthened superalloys.

Analysis of piezoelectric semiconductor fibers under gradient temperature changes

Piezoelectric semiconductors(PSs)possess both semiconducting properties and piezoelectric coupling effects,making them optimal building blocks for semiconductor devices.PS fiber-like structures have wide applications in multi-functional semiconductor devices.In this paper,a one-dimensional(1D)theoretical model is established to describe the piezotronic responses of a PS fiber under gradient temperature changes.The theoretical model aims to explain the mechanism behind the resistance change caused by such gradient temperature changes.Numerical results demonstrate that a gradient temperature change significantly affects the physical fields within the PS fiber,and can induce changes in its surface resistance.It provides important theoretical guidance on the development of piezotronic devices that are sensitive to temperature effects.

Spatial electron-spin splitting in single-layered semiconductor microstructure modulated by Dresselhaus spin-orbit coupling

Combining theory and computation,we explore the Goos–H¨anchen(GH)effect for electrons in a single-layered semiconductor microstructure(SLSM)modulated by Dresselhaus spin–orbit coupling(SOC).GH displacement depends on electron spins thanks to Dresselhaus SOC,therefore electron spins can be separated from the space domain and spinpolarized electrons in semiconductors can be realized.Both the magnitude and sign of the spin polarization ratio change with the electron energy,in-plane wave vector,strain engineering and semiconductor layer thickness.The spin polarization ratio approaches a maximum at resonance;however,no electron-spin polarization occurs in the SLSM for a zero in-plane wave vector.More importantly,the spin polarization ratio can be manipulated by strain engineering or semiconductor layer thickness,giving rise to a controllable spatial electron-spin splitter in the field of semiconductor spintronics.

Regulating the dopant clustering in LiZnAs-based diluted magnetic semiconductor

Tuning of the magnetic interaction plays the vital role in reducing the clustering of magnetic dopant in diluted magnetic semiconductors(DMS).Due to the not well understood magnetic mechanism and the interplay between different magnetic mechanisms,no efficient and universal tuning strategy is proposed at present.Here,the magnetic interactions and formation energies of isovalent-doped(Mn) and aliovalent(Cr)-doped LiZnAs are studied based on density functional theory(DFT).It is found that the dopant–dopant distance-dependent magnetic interaction is highly sensitive to the carrier concentration and carrier type and can only be explained by the interplay between two magnetic mechanisms,i.e.,superexchange and Zener’s p–d exchange model.Thus,the magnetic behavior and clustering of magnetic dopant can be tuned by the interplay between two magnetic mechanisms.The insensitivity of the tuning effect to U parameter suggests that our strategy could be universal to other DMS.

Selection of dopants and doping sites in semiconductors:the case of AlN

The choices of proper dopants and doping sites significantly influence the doping efficiency.In this work,using doping in Al N as an example,we discuss how to choose dopants and doping sites in semiconductors to create shallow defect levels.By comparing the defect properties of C_(N),O_(N),Mg_(Al),and Si_(Al)in AlN and analyzing the pros and cons of different doping approaches from the aspects of size mismatch between dopant and host elements,electronegativity difference and perturbation to the band edge states after the substitution,we propose that Mg_(Al)and Si_(Al)should be the best dopants and doping sites for p-type and n-type doping,respectively.Further first-principles calculations verify our predictions as these defects present lower formation energies and shallower defect levels.The defect charge distributions also show that the band edge states,which mainly consist of N-s and p orbitals,are less perturbed when Al is substituted,therefore,the derived defect states turn out to be delocalized,opposite to the situation when N is substituted.This approach of analyzing the band structure of the host material and choosing dopants and doping sites to minimize the perturbation on the host band structure is general and can provide reliable estimations for finding shallow defect levels in semiconductors.

Anomalous bond lengthening in compressed magnetic doped semiconductor Ba(Zn_(0.95)Mn_(0.05))_(2)As_(2)

Applying pressure has been evidenced as an effective method to control the properties of semiconductors,owing to its capability to modify the band configuration around Fermi energy.Correspondingly,structural evolutions under external pres-sures are required to analyze the mechanisms.Herein high-pressure structure of a magnetic doped semiconductor Ba(Zn_(0.95)Mn_(0.05))_(2)As_(2)is studied with combination of in-situ synchrotron X-ray diffractions and diamond anvil cells.The materials become ferromagnetic with Curie temperature of 105 K after further 20%K doping.The title material undergoes an isostruc-tural phase transition at around 19 GPa.Below the transition pressure,it is remarkable to find lengthening of Zn/Mn-As bond within Zn/MnAs layers,since chemical bonds are generally shortened with applying pressures.Accompanied with the bond stretch,interlayer As-As distances become shorter and the As-As dimers form after the phase transition.With further compres-sion,Zn/Mn-As bond becomes shortened due to the recovery of isotropic compression on the Zn/MnAs layers.

Magneto-Photo-Thermoelastic Excitation Rotating Semiconductor Medium Based on Moisture Diffusivity

In this research,we focus on the free-surface deformation of a one-dimensional elastic semiconductor medium as a function of magnetic field and moisture diffusivity.The problem aims to analyze the interconnection between plasma and moisture diffusivity processes,as well as thermo-elastic waves.The study examines the photothermoelasticity transport process while considering the impact of moisture diffusivity.By employing Laplace’s transformation technique,we derive the governing equations of the photo-thermo-elastic medium.These equations include the equations for carrier density,elastic waves,moisture transport,heat conduction,and constitutive relationships.Mechanical stresses,thermal conditions,and plasma boundary conditions are used to calculate the fundamental physical parameters in the Laplace domain.By employing numerical techniques,the Laplace transform is inverted to get complete time-domain solutions for the primary physical domains under study.Referencemoisture,thermoelastic,and thermoelectric characteristics are employed in conjunction with a graphical analysis that takes into consideration the effects of applied forces on displacement,moisture concentration,carrier density,stress due to forces,and temperature distribution.

Two-dimensional Cr_(2)Cl_(3)S_(3) Janus magnetic semiconductor with large magnetic exchange interaction and high-T_(C)

The two-dimensional(2D)Janus monolayers are promising in spintronic device application due to their enhanced magnetic couplings and Curie temperatures.Van der Waals CrCl_(3) monolayer has been experimentally proved to have an in-plane magnetic easy axis and a low Curie temperature of 17 K,which will limit its application in spintronic devices.In this work,we propose a new Janus monolayer Cr_(2)Cl_(3)S_(3) based on the first principles calculations.The phonon dispersion and elastic constants confirm that Janus monolayer Cr_(2)Cl_(3)S_(3) is dynamically and mechanically stable.Our Monte Carlo simulation results based on magnetic exchange constants reveal that Janus monolayer Cr_(2)Cl_(3)S_(3) is an intrinsic ferromagnetic semiconductor with TC of 180 K,which is much higher than that of CrCl_(3) due to the enhanced ferromagnetic coupling caused by S substitution.Moreover,the magnetic easy axis of Janus Cr_(2)Cl_(3)S_(3) can be tuned to the perpendicular direction with a large magnetic anisotropy energy(MAE)of 142eV/Cr.Furthermore,the effect of biaxial strain on the magnetic property of Janus monolayer Cr_(2)Cl_(3)S_(3) is evaluated.It is found that the Curie temperature is more robust under tensile strain.This work indicates that the Janus monolayer Cr_(2)Cl_(3)S_(3) presents increased Curie temperature and out-of-plane magnetic easy axis,suggesting greater application potential in 2D spintronic devices.

Performance of Lateral 4H-SiC Photoconductive Semiconductor Switches by Extrinsic Backside Trigger

Photoconductive semiconductor switch(PCSS)can be applied in pulsed high power systems and microwave techniques.However,reducing the damage and increasing the lifetime of silicon carbide(SiC)PCSS are still faced severe challenges.In this study,PCSSs with various structures were prepared on 4-inch diameter,500μm thick high-purity semi-insulating 4H-SiC substrates and their on-state resistance and damage mechanisms were investigated.It was found that the PCSS of an Au/TiW/Ni electrode system annealed at 950℃had a minimum on-state resistance of 6.0Ωat 1 kV bias voltage with a 532 nm and 170 mJ pulsed laser by backside illumination single trigger.The backside illumination single trigger could reduce on-state resistance and alleviate the damage of PCSS compared to the frontside trigger when the diameter of the laser spot was larger than the channel length of PCSS.For the 200 s trigger test by a 10 Hz laser,the black branch-like ablation on Au/TiW/Ni PCSS was mainly caused by thermal stress owing to hot carriers.Replacing metal Ni with boron gallium co-doped zinc oxide(BGZO)thin films annealed at 400℃,black branch-like ablation was alleviated while concentric arc damage was obvious at the anode.The major causes of concentric arc are both pulsed laser diffraction and thermal effect.

Low-Cost and Biodegradable Thermoelectric Devices Based on van der Waals Semiconductors on Paper Substrates

We present a method to fabricate handcrafted thermoelectric devices on standard office paper substrates.The devices are based on thin films of WS_(2),Te,and BP(P-type semiconductors)and TiS_(3)and TiS_(2)(N-type semiconductors),deposited by simply rubbing powder of these materials against paper.The thermoelectric properties of these semiconducting films revealed maximum Seebeck coefficients of(+1.32±0.27)mV K^(-1)and(-0.82±0.15)mV K^(-1)for WS_(2)and TiS_(3),respectively.Additionally,Peltier elements were fabricated by interconnecting the P-and N-type films with graphite electrodes.A thermopower value up to 6.11 mV K^(-1)was obtained when the Peltier element were constructed with three junctions.The findings of this work show proof-of-concept devices to illustrate the potential application of semiconducting van der Waals materials in future thermoelectric power generation as well as temperature sensing for low-cost disposable electronic devices.

Functional Confirmation Using a Medical X-Ray System of a Semiconductor Survey Meter

In recent years, semiconductor survey meters have been developed and are in increasing demand worldwide. This study determined if it is possible to use the X-ray system installed in each medical facility to calculate the time constant of a semiconductor survey meter and confirm the meter’s function. An additional filter was attached to the medical X-ray system to satisfy the standards of N-60 to N-120, more copper plates were added as needed, and the first and second half-value layers were calculated to enable comparisons of the facility’s X-ray system quality with the N-60 to N-120 quality values. Next, we used a medical X-ray system to measure the leakage dose and calculate the time constant of the survey meter. The functionality of the meter was then checked and compared with the energy characteristics of the meter. The experimental results showed that it was possible to use a medical X-ray system to reproduce the N-60 to N-120 radiation quality values and to calculate the time constant from the measured results, assuming actual leakage dosimetry for that radiation quality. We also found that the calibration factor was equivalent to that of the energy characteristics of the survey meter.

Enhanced magnetic anisotropy and high hole mobility in magnetic semiconductor Ga_(1-x-y)Fe_(x)Ni_(y)Sb

(Ga,Fe)Sb is a promising magnetic semiconductor(MS)for spintronic applications because its Curie temperature(T_(C))is above 300 K when the Fe concentration is higher than 20%.However,the anisotropy constant Ku of(Ga,Fe)Sb is below 7.6×10^(3)erg/cm^(3)when Fe concentration is lower than 30%,which is one order of magnitude lower than that of(Ga,Mn)As.To address this issue,we grew Ga_(1-x-y)Fe_(x)Ni_(y)Sb films with almost the same x(≈24%)and different y to characterize their magnetic and electrical transport properties.We found that the magnetic anisotropy of Ga_(0.76-y)Fe_(0.24)Ni_(y)Sb can be enhanced by increasing y,in which Ku is negligible at y=1.7%but increases to 3.8×10^(5)erg/cm^(3)at y=6.1%(T_(C)=354 K).In addition,the hole mobility(μ)of Ga_(1-x-y)Fe_(x)Ni_(y)Sb reaches 31.3 cm^(2)/(V∙s)at x=23.7%,y=1.7%(T_(C)=319 K),which is much higher than the mobility of Ga_(1-x)Fe_(x)Sb at x=25.2%(μ=6.2 cm^(2)/(V∙s)).Our results provide useful information for enhancing the magnetic anisotropy and hole mobility of(Ga,Fe)Sb by using Ni co-doping.

Semitransparent organic photovoltaics enabled by transparent p-type inorganic semiconductor and near-infrared acceptor

Semitransparent organic photovoltaics(STOPVs)have gained wide attention owing to their promising applications in building-integrated photovoltaics,agrivoltaics,and floating photovoltaics.Organic semiconductors with high charge carrier mobility usually have planar and conjugated structures,thereby showing strong absorption in visible region.In this work,a new concept of incorporating transparent inorganic semiconductors is proposed for high-performance STOPVs.Copper(I)thiocyanate(CuSCN)is a visible-transparent inorganic semiconductor with an ionization potential of 5.45 eV and high hole mobility.The transparency of CuSCN benefits high average visible transmittance(AVT)of STOPVs.The energy levels of CuSCN as donor match those of near-infrared small molecule acceptor BTP-eC9,and the formed heterojunction exhibits an ability of exciton dissociation.High mobility of CuSCN contributes to a more favorable charge transport channel and suppresses charge recombination.The control STOPVs based on PM6/BTP-eC9 exhibit an AVT of 19.0%with a power conversion efficiency(PCE)of 12.7%.Partial replacement of PM6 with CuSCN leads to a 63%increase in transmittance,resulting in a higher AVT of 30.9%and a comparable PCE of 10.8%.