Properties Of Sheets Research Articles

Machine-learned interatomic potentials for accurate analysis of the mechanical properties of boron nitride sheets

Abstract We introduced a novel machine-learned interatomic potential (MLIP) by thoroughly discussing the step–by–step MLIP creation process using precise but limited data. This study explored the mechanical properties of hexagonal boron nitride (hBN) nanosheets and addressed the challenges of accurately predicting their structural properties. We explored the use of ab initio molecular dynamics and classical molecular dynamics (CMD) simulation techniques, emphasizing the necessity for a more effective and efficient solution. We also discussed the machine learning procedure to construct an effective interatomic potential. Furthermore, we address techniques for evaluating the performance and robustness of MLIPs on unseen datasets. Using the newly formed MLIP in a CMD simulation, we investigated the mechanical attributes of hBN nanosheets, exploring the fluctuations in sheet strength across a range of dimensions, temperatures, and varying numbers of layers. We obtained an average Young’s modulus in the range of 980–1000 GPa at 1 K, whereas the average failure stress and strain were approximately 106 GPa and 0.16, respectively. Our results demonstrate significant improvements in the accuracy of hBN nanosheets compared to prior studies, highlighting the effectiveness of MLIP in achieving higher precision with minimal computational cost. This study offers comprehensive analysis and theoretical exploration, delivering valuable insights into MLIP and the mechanical properties of hBN nanosheets, and paves the way for future applications in materials science and engineering.

Effect of Annealing Temperature on Microstructure and Mechanical Properties of 00Cr21CuTi Stainless Steel Cold-Rolled Sheets

To investigate the evolution of microstructure and mechanical properties in cold-rolled sheets of Ferritic Stainless Steel (FSS) during annealing, a series of annealing tests were performed on 00Cr21CuTi at different temperatures of 930, 990, and 1050 °C. The changes in microstructure at these annealing temperatures were characterized by optical microscopy (OM), scanning electron microscopy (SEM), transmission electron microscopy (TEM), and electron back-scattered diffraction (EBSD). The influence of annealing temperature on mechanical properties was assessed utilizing a universal tensile testing machine and a laser confocal microscope. The results indicated a gradual decrease in yield strength and tensile strength with increasing annealing temperature, whereas elongation exhibited an upward trend. At an annealing temperature of 930 °C, the yield strength, tensile strength, and elongation of the steel were 251 MPa, 409 MPa, and 30.9%, respectively, with a high product of strength plastic 12.64 GPa·%. This result represented an optimal balance between comprehensive strength and plasticity.

Effects of micron-sized Si particles on the static and dynamic mechanical properties and fracture behavior of Al-xSi alloy sheets

In this paper, a comprehensive analysis was conducted on the effects of micron-sized Si particles on the microstructure, static and dynamic mechanical properties, and fracture behavior of wrought Al-xSi alloy sheets. The investigation employed techniques such as optical microscope, scanning electron microscope, laser scanning confocal microscope, transmission electron microscope, tensile testing and fatigue testing. The results show that when the Si content is below 12 wt%, the size of the Si particles in the alloy sheets does not exceed 3 μm, and their quantity gradually increases with higher Si content. As the Si content increases, the grain size of the alloy sheets is refined from 63 μm to 8 μm. The alloy strength initially increases and then slightly decreases with further Si addition. while elongation exhibits a general downward trend. The tensile fracture modes of Al-(1–12 wt%) Si alloy sheets are all ductile fractures. The fatigue life of Al-xSi alloy sheets first extends and then shortens as the Si content increases. With the increase of Si content, the yield strength of the alloy sheets gradually increases from 47.6 MPa to 85.7 MPa. When the Si content is 12 wt%, the tensile strength reaches the maximum value of 185.4 MPa. With the increase of Si content, the elongation of the alloy sheet first increases slightly, reaching 35.0 %, when the Si content increases to 15 wt%, the elongation gradually decreases to 17.5 %. As the Si content increases, the fatigue life of the alloy sheets gradually extends. When the Si content reaches 12 wt%, the alloy sheet achieves its maximum fatigue life, reaching 9.97 × 105–1.97 × 10⁶ cycles, approximately 11–14 times longer than that of the Al-1 wt% Si alloy sheet. However, with a further increase in Si content to 15 wt%, the fatigue life significantly decreases to 4.08 × 10⁵–4.70 × 10⁵ cycles, shortening by approximately 59–76 %. The fatigue crack source of Al-xSi alloy sheets gradually changes from the persistent slip bands on the surface of the sheet to the large-sized Si particles on the surface of the sheet. The functional relationship between the fatigue life of Al-xSi alloy sheets as the Si content changes is established, and the fatigue life influencing factor ISi is introduced to quantitatively describe the influence of the number of micron-sized eutectic Si particles on the fatigue life or fatigue properties of the alloy sheets. This study provides important scientific insights for optimizing alloy property and meeting diverse industrial demands, thereby promoting the application and development of wrought Al-Si alloy in broader fields.

Synthesis and characterization of space-time light sheets: a tutorial

Abstract Space-time wave packets (STWPs) are a new class of pulsed optical beams with many unique and intriguing attributes, including propagation invariance and tunable group velocity in linear optical media. STWPs are a form of spatiotemporally structured light, so their synthesis poses challenges that are not shared by conventional monochromatic structured light fields. We present here a detailed description of the synthesis of STWPs that are localized along one transverse dimension and uniform along the other; i.e., space-time light sheets. We also describe the main characterization schemes needed for benchmarking the unique properties of space-time light sheets.

Experimental Investigation on Bending Properties of DP780 Dual-Phase Steel Strengthened by Hybrid Polymer Composite with Aramid and Carbon Fibers.

Lowering passenger vehicle weight is a major contributor to improving fuel consumption and reducing greenhouse gas emissions. One fundamental method to achieving lighter cars is to replace heavy materials with lighter ones while still ensuring the required strength, durability, and ride comfort. Currently, there is increasing interest in hybrid structures obtained through adhesive bonding of high-performance fiber-reinforced polymers (FRPs) to high-strength steel sheets. The high weight reduction potential of steel/FRP hybrid structures is obtained by the thickness reduction of the steel sheet with the use of a lightweight FRP. The result is a lighter structure, but it is challenging to retain the stiffness and load-carrying capacity of an unreduced-thickness steel sheet. This work investigates the bending properties of a non-reinforced DP780 steel sheet that has a thickness of 1.45 mm (S1.45) and a hybrid structure (S1.15/ACFRP), and its mechanical properties are examined. The proposed hybrid structure is composed of a DP780 steel sheet with a thickness of 1.15 mm (S1.15) and a hybrid composite (ACFRP) made from two plies of woven hybrid fabric of aramid and carbon fibers and an epoxy resin matrix. The hybridization effect of S1.15 with ACFRP is investigated, and the results are compared with those available in the literature. S1.15/ACFRP is only 5.71% heavier than S1.15, but its bending properties, including bending stiffness, maximum bending load capacity, and absorbed energy, are higher by 29.7, 49.8, and 41.2%, respectively. The results show that debonding at the interface between S1.15 and ACFRP is the primary mode of fracture in S1.15/ACFRP. Importantly, S1.15 is permanently deformed because it reaches its peak plastic strain. It is found that the reinforcement layers of ACFRP remain undamaged during the entire loading process. In the case of S1.45, typical ductile behavior and a two-stage bending response are observed. S1.15/ACFRP and S1.45 are also compared in terms of their weight and bending properties. It is observed that S1.15/ACFRP is 16.47% lighter than S1.45. However, the bending stiffness, maximum bending load capacity, and absorbed energy of S1.15/ACFRP remain 34.4, 11.5, and 21.1% lower compared to S1.45, respectively. Therefore, several modifications to the hybrid structure are suggested to improve its mechanical properties. The results of this study provide valuable conclusions and useful data to continue further research on the application of S1.15/ACFRP in the design of lightweight and durable thin-walled structures.

First Principles Investigation of Thermoelectric Properties of Naphyne

Designing a thermoelectric device to efficiently convert waste heat into electricity involves simultaneous adjustment of its electrical and thermal conductance. Herein, we have investigated the thermoelectric property of a two-dimensional naphyne sheet under various bias voltages and temperatures. Naphyne possesses a superior Seebeck coefficient under zero bias voltage at room temperature in comparison to other conventional thermoelectric materials, affirming its potential as a promising candidate for thermoelectric devices. Increase in temperature, tend to decrease various thermoelectric properties like Seebeck coefficient, conductance and figure of merit. However, an exception is found for the electronic part of thermal conductance which rises with the rise in temperature for naphyne. Interestingly, at a bias voltage of 0.2V, the highest value of electronic part of thermoelectric figure of merit ZTe=30.11 is found at 200K, while at 0.6V the highest value of ZTe=4.21 is observed at a temperature of 300K, indicating that naphyne could play a beneficial role in the design of thermoelectric materials.

Enhancing the anti-tarnish and mechanical properties of gold-coated silver sheets for decorative applications using TiO2 film protection

This study explores an innovative method to enhance the anti-tarnish and mechanical properties of gold-coated silver sheets, targeting decorative applications through the TiO2 film coatings. The research focuses on gold films with a thickness of approximately 100 nm, and TiO2 films ranging from 10 to 31 nm. It was observed that the color of the multilayer coatings exhibited significant sensitivity to variations in thickness, indicating that a TiO2 coating with a thickness around 20 nm could be optimally applied to the gold film, maintaining an acceptable ΔE value. X-ray photoelectron spectroscopy analysis demonstrated the TiO2 film’s potential to inhibit the formation of Ag2S on the surface, thereby enhancing tarnish resistance. Furthermore, the application of a 20 nm TiO2 layer reduced the friction coefficient from 0.28 to 0.24 for gold-coated silver. Durability tests involving 1,000 abrasion cycles revealed that the gold film without TiO2 protection experienced delamination, with only about 57 % of the coated area remaining intact. In contrast, the samples protected with a TiO2 layer retained approximately 90 % of the coating, underscoring the effectiveness of TiO2 in preserving the structural integrity and appearance of the gold-coated silver sheets.

Enhancement of mechanical properties of natural rubber latex sheets by incorporating allyl-modified microcrystalline cellulose (AMCC)

Microcrystalline cellulose (MCC) was chemically modified with allyl bromide through the hydroxyl groups of cellulose to obtain allyl-modified microcrystalline cellulose (AMCC). To enhance the curing and mechanical properties of natural rubber latex, this AMCC was then compounded with a natural rubber latex formulation to produce rubber sheets. Unmodified MCC was also compounded and prepared into rubber sheets, which served as a reference. The formation of AMCC was confirmed using Fourier Transform Spectroscopy (FTIR). Furthermore, the thermal behavior of AMCC was examined by thermogravimetric analysis (TGA), and the degree of crystallinity before and after modification was evaluated by X-ray diffraction (XRD). The results of the rubber sheets showed that overall, maximum torque (MH), degree of crosslinking density, vulcanization rate (cure rate index), and tensile strength increased in AMCC-loaded rubber compared to MCC-loaded sheets. On the other hand, optimum cure time (t90) and elongation at break were lower in the AMCC-loaded rubber than in the MCC-loaded sheets. In overall, this method outlines a successful incorporation of modified cellulose into natural rubber-based products to obtain enhanced mechanical properties.

Microstructure and mechanical properties of high-strength Al-Zn-Mg-Ni alloys with excellent twin-roll castability

This paper proposes a new high-strength Al-Zn-Mg-Ni alloy with excellent twin-roll castability compared with conventional Al-Zn-Mg-Cu alloys. Thermodynamic calculations were carried out to identify the solidification range and amount of residual liquid phase in the Al-Zn-Mg-(Cu, Ni) alloys, which are factors exerting significant influence on the formation of defects in the final strips. The designed Al-Zn-Mg-Ni alloys exhibited a narrower solidification range and smaller amount of residual liquid at the final solidification temperature, resulting in excellent surface quality after twin-roll casting compared with Al-Zn-Mg-Cu alloys. A series of rolling and heat treatment processes was performed on the Al-Zn-Mg-Ni alloy strips, and the mechanical properties of the final sheets were evaluated. The results showed that the yield and tensile strength were increased without affecting the elongation up to approximately 1.0wt.% Ni addition. Additionally, compared with conventional Al-Zn-Mg-Cu alloys, equivalent or higher tensile properties were achieved after T6 tempering. In conclusion, the Al-Zn-Mg-Ni alloy exhibits high-strength with excellent twin-roll castability.

Biomechanical and Physical Characteristics of Dental Dam Sheets Used for Absolute Isolation.

This study aimed to evaluate the mechanical and physical properties of dental dam sheets used for absolute isolation and to correlate the mechanical parameters with cost. Twenty-one dental dam sheets were tested: ALLPRIME; Madeitex; Sanctuary non-latex, Sanctuary latex black, green, and blue; Nic Tone blue and black; Mk Life; Elastidam; Bassi; Pribanic; Care; OK; MDC Dental; Keystone; Dura Dam; Flexidam; Sanctuary blue; Nic Tone blue; Ehros; and USE. The thicknesses of the dental dam sheets were measured using a digital micrometer (Mitutoyo). The dental dam sheets (n=15) were prepared by cutting the samples with dimensions of 80 × 10 mm with a 1.7 mm hole made at the center of each specimen, following the ISO 9001 standard. The specimens were tested using a universal testing machine (Emic) at a speed of 500 mm/min until rupture to calculate rupture force (RF, N), elongation (%), and ultimate tensile strength (UTS, MPa), their thickness (mm) was measured using a digital micrometer, and scanning electron microscopy and X-ray energy dispersive spectroscopy were performed to analyze the structure and composition. The radiopacity was measured using digital radiography. Thickness, UTS, RF, and elongation data were analyzed by one-way ANOVA and Tukey's test (α=0.05). The Flexidam dental dam had the largest thickness (0.5 mm), while Nic Tone had a median thickness of 0.3 mm; the RF value (41.3 N) was higher for the thicker dental dams. The other dental dams had RF values ranging from 19 to 30 N. The highest elongation was obtained for the non-latex Sanctuary dental dam (600 mm). The Bassi dental dam had the highest UTS value (15 MPa), and medium and small particles were observed in most of the gums. A loss of continuity was detected in the structure of Sanctuary green and blue media. The predominant elements in the sheets were carbon, magnesium, sulfur, silicon, and calcium. The UTS, RF, and elongation varied substantially, indicating insufficient standardization of dental dam sheets. Nonetheless, most of the tested dental dams exhibited mechanical and physical properties suitable for clinical use. The correlation between the cost and mechanical properties of the dental dams was very low.

Small-scale Current Sheets and Associated Switchback Activity in the Inner Heliosphere

Several long-standing theories postulate that turbulent dissipation can heat solar wind protons in situ. Turbulent dissipation can occur via current sheets, which are small-scale structures embedded in the solar wind magnetic field. This study examines the role that switchbacks—intermediate-scale reversals in the interplanetary magnetic field—may play in heating the solar wind by generating current sheets. We explore this possible relationship by analyzing the characteristics of current sheets within and around switchback regions. Previous studies investigated current sheet properties during Parker Solar Probe's first solar encounter, analyzed current sheets using a wide range of statistics, and explored trends that switchbacks follow with radial distance from the Sun. The present study builds on these works by analyzing the distribution and maximum values of solar wind current sheets using the Partial Variance of Increments method and focusing on how these properties correlate with the presence of switchbacks to better understand how switchbacks contribute to current sheet activity. We conclude that there are no increased current sheet populations observed within and around switchbacks, with most current sheets being observed outside switchbacks. We find a consistent distribution of current sheets regardless of whether there is concurrent switchback activity. We also observe that current sheets follow a uniform occurrence rate with increased distance from the Sun, while switchback regions significantly evolve with larger radial distances. Our findings suggest that local turbulence may be responsible for generating solar wind current sheets and does so with the same efficiency inside and outside of switchback regions.

Enhancement in Mechanical Properties of AA5052 Sheet for Small Ship by Cold Roll-Bonding Process

A cold roll-bonding (CRB) process was applied to enhance the mechanical properties of AA5052 sheet for small ship. Two and four AA5052 sheets of 1 mm thickness, 40 mm width and 300 mm length were stacked, then roll-bonded to a thickness of 0.5 mm and 1 mm respectively by two-pass rolling after such surface treatment as degreasing and wire brushing. The rolling was performed at ambient temperature without lubricant using a 4-high mill at rolling speed of 6.0m/sec. The as roll-bonded AA5052 sheet was then annealed for 1h at various temperatures from 200 to 500℃. The as roll-bonded AA5052 sheets showed a deformation structure in which the grains are elongated to the rolling direction, however above 300℃ they exhibited the complete recrystallization structure consisting of equiaxed grains, regardless of the stack number. The grain diameter of specimens annealed at high temperatures above 300℃ was smaller in 4-layer stack than in 2-layer stack CRB. Both tensile strength and elongation of the specimens were better in 4-layer stack than in 2-layer stack CRB. The effects of stacking number on microstructure and mechanical properties of AA5052 sheets processed by CRB and subsequent annealing were discussed in detail.

The Influence of As-Cast Grain Size on the Formation of Recrystallized Grains and the Related Mechanical Properties in Al-Zn-Mg-Cu-Based Alloy Sheets.

The influence of as-cast grain size on recrystallization and the related mechanical properties of Al-Zn-Mg-Cu-based alloys was investigated. Grain sizes ranging from 163 to 26 μm were achieved by adding Ti, Cr and Mn, and ZnO nano-particles, which acted as heterogeneous nucleation sites. A decrease in the as-cast grain size led to a corresponding reduction in the recrystallized grain size from 54 to 13 μm. Notably, as-cast grain sizes below 100 μm provided additional nucleation sites at grain boundaries, allowing for a reasonable prediction of recrystallized grain size. Finer grains also contributed to enhanced mechanical properties, with yield strength increasing as recrystallized grain size decreased without significant loss of elongation. Additional strengthening was observed due to η-precipitates at grain boundaries, further improving the properties of fine-grained sheets.

Two-Dimensional MXene Flakes with Large Second Harmonic Generation and Unique Surface Responses.

MXenes are a family of two-dimensional (2D) materials with broad and varied applications in biology, materials science, photonics, and environmental remediation owing to their layered structure and high surface area-to-volume ratio. MXenes have exhibited significant nonlinear optical characteristics, which have been primarily explored in the context of photonics applications, yet the second-harmonic generation (SHG) behavior of MXenes remains an unexplored aspect of their optical properties. Herein, we demonstrate and quantify large second-order responses of 2D Ti3C2Tx MXenes both in aqueous solutions and on a silicon substrate for the first time. MXene flakes showed strong second-harmonic scattering (SHS) in a dilute suspension with a sensitivity of less than 0.1 μg/mL. Angle-dependent SHS experiments further found that the second-order responses originate from coherent 2D dipole radiation. Through confocal and atomic force microscopies, we found that the intense SHG signal from free-standing MXene flakes increases exponentially with decreasing thickness, while two-photon fluorescence increases linearly with thickness. The second-order susceptibility of the MXenes was determined to be 3.6 pm V-1 with a thickness of 10 nm, almost twice of that for an often-used SHG crystal, beta barium borate. We further explored surface properties of the MXene sheets by investigating the SHS responses upon addition of organic dye molecules to the system. It was found that the adsorption of crystal violet (CV) obeys a Langmuir adsorption model while the addition of malachite green (MG) resulted in almost no change in SHG intensity, even though the adsorption capacities for both CV (61.3 ± 1.7 mg/g) and MG (54.8 ± 2.8 mg/g) are similar. Such a stark difference in adsorption characteristics between cationic organic CV and MG dyes is likely due to their distinct orientational orderings on the MXene surfaces. This work opens many possibilities for the further employment of the family of 2D materials in photonics, optics, and surface catalysis applications.

Effect of Heat Input on Tin Bronze-Induced Intergranular Cracks During Arc Cladding Process

This work aimed to figure out the effect of heat input on the characteristics, formation, and elimination of liquid tin bronze-induced intergranular cracks in steel sheets with a thickness of 2 mm. Tin bronze cladding layers were prepared using an arc cladding technique on the steel. A statistical method was adopted to analyze the severity of intergranular cracks. Microstructures and intergranular cracks were characterized by SEM and TEM. The tensile experiments were carried out using an electronic universal testing machine. For the bare steel sheets, the intergranular cracks originated from the cladding layer and propagated into the interior of the steel along the grain boundaries. The intergranular cracks could evolve into macrocracks and lead to the failure of steel. With the increase in heat input, the maximum temperature, maximum stress, and contact time between steel and liquid tin bronze increased. The severity of intergranular cracks was also increased, and the longest crack reached 520 μm. The mechanical properties of the steel sheets decreased with the increase in heat input. For nickel-plated steel sheets, intergranular cracks were eliminated under low heat input, and a transition layer with a nickel content of 12.32 wt.% was generated. The intergranular cracks generated under high heat input and nickel content in the transition layer were only 1.34 wt.%. The strength of the nickel-plated steel also decreased drastically, and the ductility was almost zero.

High temperature tensile creep behavior and microstructure evolution of Ti60 alloy rolled sheet

In this work, the high temperature tensile creep test of 2 mm Ti60 alloy rolled sheet was carried out, and the creep behavior and microstructure evolution were studied. The initial microstructure of the 2 mm Ti60 alloy rolled sheet is mainly composed of primary α phase and secondary α phase, and there are many dislocations and dynamic recrystallization (DRX) inside the rolled sheet. According to Norton-Bailey law, the creep stress exponent at 600 °C is calculated to be 3.6, and creep activation energy at 200 MPa is calculated to be 286.4 kJ/mol. It implies that the creep mechanism of the rolled sheet includes dislocation slip and dislocation climb. The initial Ti60 alloy rolled sheet has the {0001}<10–10>α texture. Stretching along the RD makes the texture direction gradually change from B-type (<0001>//ND) to T-type (<0001>//TD). Whether it is the B-type texture or T-type texture, the (0001) plane of the α phase always exhibits a basal texture state parallel to the tensile stress direction, contributing a good tensile creep property of this alloy sheet.

Isolation and Characterization of Novel Cellulose Micro/Nanofibers from Lygeum spartum Through a Chemo-Mechanical Process.

Recent studies have focused on the development of bio-based products from sustainable resources using green extraction approaches, especially nanocellulose, an emerging nanoparticle with impressive properties and multiple applications. Despite the various sources of cellulose nanofibers, the search for alternative resources that replace wood, such as Lygeum spartum, a fast-growing Mediterranean plant, is crucial. It has not been previously investigated as a potential source of nanocellulose. This study investigates the extraction of novel cellulose micro/nanofibers from Lygeum spartum using a two-step method, including both alkali and mechanical treatment as post-treatment with ultrasound, as well as homogenization using water and dilute alkali solution as a solvent. To determine the structural properties of CNFs, a series of characterization techniques was applied. A significant correlation was observed between the Fourier transform infrared (FTIR) spectroscopy and X-ray diffraction (XRD) results. The FTIR results revealed the elimination of amorphous regions and an increase in the energy of the H-bonding modes, while the XRD results showed that the crystal structure of micro/nanofibers was preserved during the process. In addition, they indicated an increase in the crystallinity index obtained with both methods (deconvolution and Segal). Thermal analysis based on thermogravimetric analysis (TGA) and differential scanning calorimetry (DSC) confirmed improvement in the thermal properties of the isolated micro/nanofibers. The temperatures of maximum degradation were 335 °C and 347 °C. Morphological analysis using a scanning electron microscope (SEM) and atomic force microscope (AFM) showed the formation of fibers along the axis, with rough and porous surfaces. The findings indicate the potential of Lygeum spartum as a source for producing high-quality micro/nanofibers. A future direction of study is to use the cellulose micro/nanofibers as additives in recycled paper and to evaluate the mechanical properties of the paper sheets, as well as investigate their use in smart paper.

Influence of the material properties on the clinching process and the resulting load-bearing capacity of the joint

This study focuses on the phenomenological change in material strength caused by a specific heat treatment and the subsequent analysis of the influence on the clinching process and the resulting joint properties. For this purpose, three series of tests were performed. In the first series of tests, the influence of heat treatment up to 340 °C on the mechanical properties of an age-hardenable AlMgSi alloy was investigated. Holding time and temperature were varied and the material strength was evaluated by tensile and hardness tests. Two strength-increasing and two strength-reducing heat treatment parameters were identified. In the second series of tests, selected heat treatment parameters were applied to a larger number of specimens and the joint strength was investigated by shear and head tensile tests. In the shear tensile test, mainly the properties of the punch-side material have an influence on the resulting joint strength. A change in strength of the die-side material can be neglected. In contrast, the properties of both sheets are important in the head tensile test. The strength of the joint will only increase if the strength of both sheets is increased. In general, a strength increasing heat treatment resulted in higher joint strength. In the third series of tests, the factor of punch displacement was considered, which was demonstrated to directly influence the formation of the clinched joint geometry.

Thermal, mechanical, and electrical properties of Si-stacked nanosheet transistors using machine learning interatomic potentials

Thermal and mechanical properties play a key role in optimizing the performance of nanoelectronic devices. In this study, the lattice thermal conductivity (κL) and elastic constants of Si nanosheets at different sheet thicknesses were determined using recently developed machine learning interatomic potentials (MLIPs). A Si nanosheet with a minimum thickness of 10 atomic layers was used for model training to predict the properties of sheets with greater thicknesses. The training dataset was efficiently constructed using stochastic sampling of the potential energy surface (PES). Density functional theory (DFT) calculations were used to extract&#xD;the MLIP, which served as the basis for further analysis. The Moment Tensor Potential (MTP) method was used to obtain the MLIP in this study. The results showed that, at sub-6 nm sheet thickness, the thermal conductivity dropped to ∼ 7 % of its bulk value, whereas some stiffness tensor components dropped to ∼ 3 % of the bulk values. These findings contribute to the understanding of heat transport and mechanical behavior of ultrathin Si nanosheets, which is crucial for designing and optimizing nanoelectronic devices. The technological implications of the extracted parameters on nanosheet field-effect transistor (NS-FET) performance at advanced technology nodes were evaluated using TCAD device simulations.

Two-phase flow properties for air sheets injected from rectangular slots in high-velocity crossflow

This work presents an experimental contribution towards the understanding of the two-phase jet dynamics in high-speed transverse flows, a field that is essential to many industrial applications. Four slot injectors are the subject of this investigation, which examines air flows as high as 0.05 m3/s and cross flows as high as 6 m/s. Using an invasive optical probe, the study reveals the presence of an air cavity surrounded by a two-phase mixing zone. Analysis of the spatial void fraction reveals counter-rotating vortices that direct bubbles towards their centers while larger bubbles rise to the top of the vein and form an upper zone with a maximum void fraction. The study also looks at the dynamic evolution of air sheet characteristics, which reveals an increasing trend in average void fraction along the flow. The comparison of bubble characteristics of different slots and conditions provides valuable insights into the impact of environment pressure and slot geometry on void fraction and bubble size in two-phase flows. Finally, correlations based on dimensionless numbers generalize the information on bubble characteristics for a wide range of conditions, assisting in estimation and validation in numerical simulations.