bluuebunny/crossref_metadata_2025 huggingface dataset:
Utilization of Immediate Postpartum Contraception and Its Association with Interpregnancy Interval: 10-Year Experience at a Single Center
Authors: Champion Macie L. , Beebe Sarah E. , Blanchard Christina T. , Boozer Margaret , Casey Brian M. , Subramaniam Akila
Published: September 2024

Objective Increasing availability of immediate postpartum long-acting reversible contraception (LARC) has added contraceptive alternatives to bilateral tubal ligation (BTL) in the immediate postpartum period. The resultant access to long-term contraception has provided patients with improved control over the timing of pregnancies. Our objective is to evaluate changes in the utilization of immediate postpartum contraceptive methods over a 10-year period and its association with interpregnancy interval (IPI).

Study Design Retrospective cohort study of 36,445 patients delivered at a single academic hospital center from 2012 to 2020. Deliveries <23 weeks gestation and patients who underwent a cesarean hysterectomy or postpartum hysterectomy for obstetric indications were excluded. The primary outcome was the utilization of postpartum BTL, intrauterine devices, contraceptive implants, and Depo-Provera over the study time period. The secondary outcomes were IPI and interdelivery interval (IDI). Outcomes were compared using appropriate tests of trend. We adjusted for significant covariates as assessed in baseline characteristics.

Results A total of 35,281 patients were included in our study. Groups were different in baseline characteristics including age, race/ethnicity, parity, BMI, insurance status, comorbidity risk, and attendance at postpartum exam. Over the study period, there was a significant difference in utilization of Depo-Provera, LARC, intrauterine device (IUD), and implant (p < 0.001). There was a significant increase in IPI (p < 0.001) and IDI (p < 0.001).

Conclusion We observed a significant increase in utilization of immediate postpartum LARC over the study period which corresponded to a significant increase in IPI and IDI. Our findings emphasize the importance of the availability of immediate postpartum contraception as well as its effectiveness in improving family planning options for reproductive-aged patients. We found significantly increased IPI and IDI associated with increased utilization of long-acting reversible contraceptives immediately postpartum. Our findings emphasize the importance of providers offering these options to patients as well as being comfortable initiating immediate postpartum contraception.

Key Points
Recent Development of CDK2 Inhibitors as Anticancer Drugs: An Update (2015–2023)
Authors: Jin Yumei , Lu Hao , Ge Hu , Hou Xuben , Fang Hao
Published: September 2024

Cyclin-dependent kinase 2 (CDK2) is a critical regulator of cell division and has emerged as a promising target for anticancer treatment. In this article, we summarize the structural features of CDK2 inhibitors and corresponding binding modes, in particular the noncompetitive binding modes that offer unique advantages for the development of highly selective inhibitors. In addition, we present an overview of the latest advancements in the development of CDK2 inhibitors and discuss the trend in the field. This review provides valuable insights into the structure–activity relationships of the reported CDK2 inhibitors, inspiring the development of potent and selective CDK2 inhibitors in the future.
Experimental and theoretical study on the ceasing motion of a droplet manipulated by air-blowing nozzle
Authors: Xu Ning , Xu Wen-Ping , Fu Xin , Su Rui , Chen Wen-Yu , Shen Ying-Nan , Luo Jin
Published: September 2024

In this study, the dynamic process of a droplet moving with a substrate until blocked by air flow is investigated experimentally and theoretically. A sequence of experiments has been conducted to investigate the impacts of wetting properties, droplet volumes, air flow velocities, and droplet velocities. The substrate is driven by a linear motion motor to ensure the droplet moves at a certain velocity alongside the substrate. The air flow that is vertically injected from the nozzles toward the substrate is known as an impinging jet. After the air flow impacts the substrate, it will blow horizontally. When the direction of air flow is opposite to that of the droplet movement, a force will be exerted on the surface of the droplet. This action incurs the deformation of the droplet and the cessation of its movement, eventually resulting in an equilibrium state. The droplet shape and motion processes are recorded by a high-speed camera. A mathematical model considering the effect of droplet contact angle, droplet size, droplet moving velocity, and air flow velocity is established in the state of equilibrium. Correlation factors are used in the model for the drag coefficient and air average velocity acting on the droplet. It is found that the air flow rate required to stop the motion of the droplet increases with the droplet moving velocity and the droplet size but reduces with the increase in the static contact angle. The mathematical model, when equipped with suitable correlation factors, exhibits good agreement with experimental data and could potentially be utilized as a predictor of critical velocity for the cessation of the droplet motion.
Addressing accuracy by prescribing precision: Bayesian error estimation of point defect energetics
Authors: Timmins Andrew , Kurchin Rachel C.
Published: September 2024

With density functional theory (DFT), it is possible to calculate the formation energy of charged point defects and in turn to predict a range of experimentally relevant quantities, such as defect concentrations, charge transition levels, or recombination rates. While prior efforts have led to marked improvements in the accuracy of such calculations, comparatively modest effort has been directed at quantifying their uncertainties. However, in the broader DFT research space, the development of Bayesian Error Estimation Functionals (BEEF) has enabled uncertainty quantification (UQ) for other properties. In this paper, we investigate the utility of BEEF as a tool for UQ of defect formation energies. We build a pipeline for propagating BEEF energies through a formation-energy calculation and test it on intrinsic defects in several materials systems spanning a variety of chemistries, bandgaps, and crystal structures, comparing to prior published results where available. We also assess the impact of aligning to a deep-level transition rather than to the VBM (valence band maximum). We observe negligible dependence of the estimated uncertainty upon a supercell size, though the relationship may be obfuscated by the fact that finite-size corrections cannot be computed separately for each member of the BEEF ensemble. Additionally, we find an increase in estimated uncertainty with respect to the absolute charge of a defect and the relaxation around the defect site without deep-level alignment, but this trend is absent when the alignment is applied. While further investigation is warranted, our results suggest that BEEF could be a useful method for UQ in defect calculations.
Integrated test system for interfacial strength and morphology of multi-type hydrate-bearing sediments
Authors: Zhang Yajuan , Li Yanlong , Wu Nengyou , Li Lilin , Ji Yunkai , Dong Lin , Sun Zhiwen , Ke Ke
Published: September 2024

Predicting the strength parameters of multi-type sediments containing hydrates is the basis and precondition for the safe and efficient development of natural gas hydrates. However, studies on the shear mechanical behavior and morphology of multi-type hydrate-bearing sediments (HBS) are still insufficient. Herein, this study presents an integrated test system that can be used to measure the interfacial strength and morphology of multi-type sediments containing hydrates. This device integrates specimen preparation, shear test, morphology observation, and data analysis, which is helpful to comprehensively evaluate interfacial strength, roughness, and morphology. The propagation and development characteristics of microfractures of HBS during shearing can be obtained, which is favorable for identifying the damage and failure modes. Preliminary validation experiments have been conducted on massive pure hydrate, hydrate–sediment interface, and homogenous HBS to verify the applicability of the device for multi-type HBS. The device and corresponding analysis method are expected to support the evaluation of interfacial strength and morphology, thereby promoting a deeper understanding of hydrate–sediment interactions and failure mechanisms of hydrate reservoirs.
Pressure and temperature diagram of C60 from atomistic simulations
Authors: Hakim Karim , Dupuis Romain , Bichara Christophe , Pellenq Roland J.-M.
Published: September 2024

Although widely studied experimentally in the 1990s, the structure and properties of low-dimensional or high-pressure phases of fullerenes have recently been re-examined. Remarkably, recent experiments have shown that transparent, nearly pure amorphous sp3-bonded carbon phases can be obtained by heating a C60 molecular crystal at a high pressure. With the additional aim of testing the ability of three classical carbon potentials reactive empirical bond order, environment-dependent interatomic potential, and reactive force-field to reproduce these results, we investigate the details of the structural transformations undergone by fullerene crystals over a wide range of pressures and temperatures. All the potentials tested show that the initial polymerization of fullerenes is accompanied by negative thermal expansion, albeit in slightly different ranges. However, more significant differences in structural and mechanical properties are observed in the amorphous phases, in particular the sp3 carbon fraction and the existence of layered amorphous carbon. Overall, these results indicate to which extent classical reactive potentials can be used to explore phase transitions over a wide range of pressures and temperatures.
The first results of the hydrogen cyanide (HCN) interferometer measuring experimental research apparatus for electromagnetic science (ERAES) for hypersonic vehicle plasma in near space
Authors: Zhang J. B. , Liu H. Q. , Zhang Y. , Wei X. C. , Xie J. X. , Wang S. X. , Lian H. , Jie Y. X. , Hu L. Q.
Published: September 2024

The formation of a plasma sheath on the surface of spacecraft or satellites during high-speed atmospheric entry is a significant factor that affects communication and radar detection. Experimental research apparatus for electromagnetic science can simulate this plasma sheath and study the interaction mechanisms between electromagnetic waves and plasma sheaths. Electron density is a crucial parameter for this research. Therefore, in this paper, a HCN heterodyne interferometer has been designed to measure the electron densities of the device, which range from 1 × 109 to 3 × 1013 cm−3 and the pressure ranges from 50 to 1500 Pa. The light source is a HCN laser with a wavelength of 337 µm, which exhibits higher spatial resolution compared to microwave interferometers. The interferometer is configured as a Mach–Zehnder interferometer, which generates an intermediate frequency through the Doppler shift achieved by a rotating grating. The spatial and temporal resolution of the HCN interferometry reach ∼14 mm and 100 µs, respectively. Antenna-coupled ALGaN/GaN-HEMT detectors have been utilized, as they possess higher sensitivity—with a typical reduction factor responsivity of around 900 V/W—than VDI planar-diode Integrated Conical Horn Fundamental Mixers in HCN interferometry. Recently, the initial results of the HCN interferometer designed for ERAES have been obtained during an experimental campaign, demonstrating a phase resolution of up to 0.04π.
Optical quantification of the weak van der Waals coupling between multilayer antimonene and bilayer MoS2 using ultrafast coherent vibration spectroscopy
Authors: Wang Peng-Jui , Yang Zih-Sian , Chang Che-Jia , Lin Shih-Yen , Sun Chi-Kuang
Published: September 2024

Antimonene, a promising conductor for next-generation 2D-based devices, has its contact resistance significantly influenced by the van der Waals (vdW) interaction within its heterostructure. In this study, we report the quantification of the vdW coupling between multilayer antimonene and bilayer MoS2 by ultrafast coherent vibration spectroscopy. By utilizing a femtosecond laser, we excited coherent acoustic vibrations in the multilayer-antimonene on substrate-supported bilayer MoS2, and the relative displacement at the vdW heterojunction was detected with the aid of bilayer MoS2. The photoexcited strain pulse generated in the multilayer-antimonene was observed as it transported to the bilayer MoS2, explaining the distortion at the beginning of the oscillation. By analyzing the thickness-dependent oscillation frequencies, we determine the effective vdW elastic constant between multilayer-antimonene and MoS2 to be (1.9 ± 0.2) × 1018 N/m3. This non-destructive optical technique offers a significant advance in the evaluation of vdW interactions at 2D metal-semiconductor interfaces.
Machine learning assisted sorting of active microswimmers
Authors: Torrik Abdolhalim , Zarif Mahdi
Published: September 2024

Active matter systems, being in a non-equilibrium state, exhibit complex behaviors, such as self-organization, giving rise to emergent phenomena. There are many examples of active particles with biological origins, including bacteria and spermatozoa, or with artificial origins, such as self-propelled swimmers and Janus particles. The ability to manipulate active particles is vital for their effective application, e.g., separating motile spermatozoa from nonmotile and dead ones, to increase fertilization chance. In this study, we proposed a mechanism—an apparatus—to sort and demix active particles based on their motility values (Péclet number). Initially, using Brownian simulations, we demonstrated the feasibility of sorting self-propelled particles. Following this, we employed machine learning methods, supplemented with data from comprehensive simulations that we conducted for this study, to model the complex behavior of active particles. This enabled us to sort them based on their Péclet number. Finally, we evaluated the performance of the developed models and showed their effectiveness in demixing and sorting the active particles. Our findings can find applications in various fields, including physics, biology, and biomedical science, where the sorting and manipulation of active particles play a pivotal role.
In-plane anisotropic magnetoresistance and planar Hall effect in off-stoichiometric single crystal Mn3Ga
Authors: Song Linxuan , Zhou Feng , Chen Jie , Li Hang , Xi Xuekui , Lau Yong-Chang , Wang Wenhong
Published: September 2024

We report the observation of in-plane anisotropic magnetoresistance (AMR) and planar Hall effect in our recently discovered kagome antiferromagnetic off-stoichiometric single crystal of Mn3Ga. We found that the in-plane AMR is dominated by a sixfold symmetry at low temperature due to the kagome lattice magnetocrystalline anisotropy. However, an unusual fourfold symmetry is also revealed by the angular-dependent AMR measurements, which originates from the little distortion of the crystal accompanying the slight ferromagnetic transition. Moreover, we also found a clear planar Hall effect signal in off-stoichiometric single crystal of Mn3Ga, which may be related to the chiral anomaly, one of the signatures of the magnetic Weyl fermions.
Neutron-producing gas puff Z-pinch experiments on a fast, low-impedance, 0.5 MA linear transformer driver
Authors: Conti F. , Williams A. , Rahman H. U. , Fadeev V. , Higginson D. P. , Youmans A. , Aybar N. , Ruskov E. , Beg F. N.
Published: September 2024

A study on the neutron production from single and double gas puff Z-pinches on the CESZAR linear transformer driver with ∼0.45 MA current and 170 ns rise time is presented. Total neutron yield measurements made with a LaBr activation detector are compared for three configurations, using a double nozzle setup. When a single, hollow, deuterium gas shell was used, reliable implosions could only be attained at higher load mass than the optimal value to match implosion time with the driver rise time, with neutron yields of ∼106 per pulse. The use of a double gas puff configuration with a deuterium center jet allowed a reduction in the shell density and operation closer to machine-matched conditions, recording up to (4.1 ± 0.3) × 107 neutrons/pulse when either Kr or D2 was used in the shell. For a comparable mass and implosion time, using a higher atomic-number gas in the outer shell results in more unstable plasma surface and smaller plasma radius at the location of instability bubbles, which, however, do not seem to consistently correlate with a higher neutron yield. Comparing implosion dynamics with models and neutron yields with literature scaling suggests that the machine current is not well coupled to the plasma during the final stages of compression. Optimizing current and energy coupling to the pinched plasma is critical to improving performance, particularly in low-impedance drivers.
Mid-infrared waveguide-integrated and photo-thermoelectric graphene photodetector based on germanium-on-silicon platform
Authors: Cai Hongjun , Yang Changming , Liu Yuheng , Zhang Xinliang , Zou Yi , Yu Yu
Published: September 2024

Mid-infrared (MIR) photonic integration is desirable in the development of MIR spectroscopy and “lab-on-a-chip” sensing. The germanium-on-silicon (GOS) platform offers a promising solution for MIR photonic integration, extending the operational wavelength to a longer band by eliminating the light-absorbing buried oxide layer. However, MIR photodetectors on the GOS platform remain undeveloped due to the challenging heterogeneous integration of active materials on silicon and inadequate light absorption in the photodetection region. Here, we demonstrate a photo-thermoelectric graphene photodetector on the GOS platform, taking advantage of zero-bias operation and easy heterogeneous integration of graphene. By employing split-gate architecture and plasmonic enhancement to strengthen the light-graphene interaction, we achieve a responsivity of 1.97 V W−1 and noise equivalent power of 2.8 nW Hz−1/2 at the wavelength of 3.7 µm. This work enables waveguide-integrated MIR photodetection on the GOS platform for the first time, and it holds great potential for on-chip MIR sensing and imaging applications.
Optimization design method based on parameter reduction and active subspaces: Redistribution of chordwise loading at blade tips in a transonic axial-flow fan
Authors: Ma Tao , Lu Hanan , Li Qiushi
Published: September 2024

In practical optimization design, an excessive number of design variables have a highly detrimental influence on the efficiency and accuracy of the final design scheme and expose the optimization problem to the curse of dimensionality. Therefore, incorporating only the most essential variables into an optimization design problem facilitates obtaining accurate and cost-efficient solutions. Reported here is an optimization design method based on parameter reduction and active subspaces, and it is used to redistribute the tip load in a transonic fan. Specifically, a coupled design strategy is developed to reduce the number of parameters needed to describe the three-dimensional blade shape, which leads to far fewer design variables being involved in the optimization design. Moreover, active subspaces are used to perform sensitivity analysis and establish low-dimensional surrogate models. After the coupled design, a blade is represented effectively by only three parameters, each of which has a significant influence on the fan performance. Three one-dimensional active subspaces are established for maximum mass flow rate, maximum total pressure ratio, and maximum efficiency, based on which the linear surrogate models are obtained. Next, the chordwise tip blade loading is optimized, after which the rotor efficiency at the design point is increased by 1.1%, while the total pressure ratio remains nearly unchanged. Finally, the flow field is analyzed to understand the mechanism for this performance improvement, and the results show that the optimized blade loading reduces the aerodynamic losses caused by shock-induced flow separation and the interaction between shocks and tip leakage flows.
Developing a robust sensor for infrared imaging bolometers
Authors: Wurden G. A. , Partesotti G. , Reimold F. , Mukai K. , Peterson B. J. , Federici F.
Published: September 2024

A new type of large area sensor for infrared imaging bolometers has been developed. It replaces the thin and fragile free-standing metal foils, which typically have been used, with a multi-layer coated sapphire (or diamond) substrate. Sapphire is transparent to mid-infrared wavelengths, is robust against transients, and can be thick enough to even be the vacuum window. The primary radiation absorber is still a thin deposited metal layer, but now it is partially insulated from the supporting sapphire substrate by a black (carbon-based) layer, which also acts as a blackbody remitter. Test results indicate 6× more noise equivalent power density (estimated NEPD = 23 W/m2 at 5 ms camera exposure time, foil temperature decay time 60 ms) for a 2 μm gold-coated sapphire disk compared to estimated NEP = 4 W/m2 at 1.8 ms exposure time, with foil decay time 420 ms, for a nominal 2.5 μm thick platinum-free-standing foil.
Origin of zero thermal expansion in an average cubic structure in Pb-free relaxor ferroelectrics
Authors: Tripathi Anuvrat , Pandey Abhishek , Alonso Jose Antonio , Erasmus Rudolph , Fernandez-Diaz Maria Teresa , Tripathi Saurabh
Published: September 2024

This study presents “K0.5Na0.5NbO3-based” Pb-free smart material 0.80(K0.5Na0.5NbO3)–0.20(Ba0.9Sr0.1TiO3) (KBST20) as exhibiting zero thermal expansion (ZTE) at low temperatures (T≤ 100 K) with long-range cubic symmetry stable over a wide temperature range (9 K ≤T≤ 500 K). The linear coefficient of the thermal expansion (αl) obtained from temperature-dependent neutron diffraction data is in the range of 0.255–5.75 × 10−6 K–1 (9–500 K), which is rarely observed for Pb-free materials possessing long-range cubic symmetry. The temperature-dependent dielectric data of KBST20 exhibits a strong relaxational behavior with high frequency dispersion (ΔT≈ 27 K), suggesting the presence of polar phased regions known as polar nano regions. The ZTE has been attributed to enhanced correlations among PNRs exhibiting ferroelectrostriction. Furthermore, temperature-dependent Raman scattering data reveal polar monoclinic distortion at short ranges rather than cubic symmetry at long ranges. In addition, the intensity of Raman modes increases with the decrease in temperature, suggesting enhancement of the polar phase at low temperatures, which consequently leads to zero thermal expansion in KBST20.
Koopman-inspired data-driven quantification of fluid–structure energy transfers
Authors: Li Cruz Y. , Zhang Likai , Li Sijia , Zhang Xuelin , Chen Zengshun , Fu Yunfei , Lin Xisheng , Peng Daniel Ziyue , Wang Yixiang , Zhang Bingchao , Zhou Lei , Wang Yunlong , Liu Haiqing , Weerasuriya Asiri U. , Tse K. T. , Yang Qingshan
Published: September 2024

The linear-time-invariance notion to the Koopman analysis is a recent advance in fluid mechanics [Li et al., “The linear-time-invariance notion to the Koopman analysis: The architecture, pedagogical rendering, and fluid–structure association,” Phys. Fluids 34(12), 125136 (2022c) and Li et al., “The linear-time-invariance notion of the Koopman analysis—Part 2. Dynamic Koopman modes, physics interpretations and phenomenological analysis of the prism wake,” J. Fluid Mech. 959, A15 (2023a)], targeting the long-standing issue of correlating nonlinear excitation and response phenomena in fluid–structure interactions (FSI), or, in the simplified case, flow over rigid obstacles. Continuing the serial research, this work presents a data-driven, Koopman-inspired methodology to decouple nonlinear FSI by establishing cause-and-effect correspondences between structure surface pressure and the flow field. Exploiting unique features of the Koopman operator, the new methodology renders dynamic visualizations of in-sync, fluid–structure-coupled Koopman modes possible, fostering phenomenological analysis and statistical quantifications of FSI energy transfers. Instantaneous contribution contours and densities offer new angles to evaluate pathways of energy amplification and diminution. The methodology enables better descriptions and interpretations of phenomena occurring in the flow and on the boundary (walls) of an FSI domain and readily applies to a broad spectrum of engineering problems given its data-driven nature.
Dust–ion–acoustic damped solitary waves and shocks in laboratory and Saturn's E-ring magnetized nonthermal dusty plasmas with anisotropic ion pressure and dust-charge fluctuation
Authors: Acharya Num Prasad , Basnet Suresh , Misra Amar P. , Khanal Raju
Published: September 2024

We study the oblique propagation of weakly nonlinear dust–ion–acoustic (DIA) solitary waves (SWs) and shocks in collisional magnetized nonthermal dusty plasmas that are relevant in laboratory and space (Saturn's E-ring) environments. We consider plasmas to be composed of q-nonextensive hot electrons, thermal positive ions, and immobile negatively charged dust grains immersed in a static magnetic field and take into account the effects of ion creation (source), ion loss (sink), ion–neutral and ion–dust collisions, anisotropic ion pressure, and dust-charge fluctuations on the evolution of small-amplitude SWs and shocks. The ion–neutral collision enhancement equilibrium dust-charge number is self-consistently determined using Newton–Raphson method. We found that in laboratory dusty plasmas with adiabatic dust-charge variation [i.e., when the dust charging frequency (νch) is much higher than the dust–plasma oscillation frequency (ωpd)], the DIA solitary waves (DIASWs) get damped by the effects of the ion–dust and ion–neutral collisions, whereas the ion creation and ion loss lead to the amplification of solitary waves, and they appear as only compressive types with positive potential. On the other hand, in Saturn's E-ring plasmas, where the collisional and ion creation or ion loss effects are insignificant, the non-adiabaticity of dust-charge variation can give rise to the evolution of either damped DIASWs or DIA shocks, depending on the smallness of the ratios νch/ωpd or ωpd/νch, respectively. Furthermore, two critical values of the nonextensive parameter q exist, below (or above) which, the DIASWs and shocks can appear as rarefactive (or compressive) types. The characteristics of DIASWs and shocks are also analyzed numerically for parameters relevant to the laboratory and Saturn's E-ring plasmas.
Spin injection at MgB2-superconductor/ferromagnet interface
Authors: Pfaff C. , Petit-Watelot S. , Andrieu S. , Pasquier L. , Ghanbaja J. , Mangin S. , Dumesnil K. , Hauet T.
Published: September 2024

There is a growing interest in mixing spintronics and superconductivity to develop original energy-efficient nonvolatile memory and logic devices. Research works conducted so far have mostly focused on superconductor with critical temperature Tc lower than 10 K. Here, we report on the growth and characterization of MgB2/Ni80Fe20 and MgB2/Co bilayers, where Tc of the MgB2 layer is of the order of 30 K. Ferromagnetic resonance was undertaken to analyze the spin pumping into MgB2. The larger magnetization at saturation in Co, as compared to Ni80Fe20, induces a smaller spin pumping contribution to the damping when MgB2 is normal. A spin pumping reduction was observed for both bilayers when MgB2 becomes superconductor and is attributed to the opening of the superconducting gap. The present results show that MgB2 thin films could be suitable to implement superconducting spintronic at 30 K, which is not only relevant for future technological development but also relaxes experimental constraints related to low-temperature investigations.
Nickel stanogermanides thin films: Phases formation, kinetics, and Sn segregation
Authors: Khelidj H. , Portavoce A. , Hoummada K. , Bertoglio M. , Benoudia M. C. , Descoins M. , Mangelinck D.
Published: September 2024

Ge1−xSnx thin films with a Sn content of x ≥ 0.1 present a direct bandgap, which is very interesting for the fabrication of efficient photonic devices. The monostanogermanide phase, Ni(GeSn), is promising to form ohmic contact in GeSn-based Si photonic devices. However, the formation kinetics of Ni stanogermanides and the incorporation of Sn in Ni–GeSn phases are not fully understood. In this work, Ni thin films were deposited on Ge and Ge0.9Sn0.1 layers grown in epitaxy on an Si(100) substrate using magnetron sputtering technique. In situ x-ray diffraction measurements were performed during the solid-state reaction of Ni/Ge and Ni/Ge0.9Sn0.1. 1D finite difference simulations based on the linear parabolic model were performed to determine the kinetics parameters for phase growth. The nucleation and growth kinetics of Ni germanides are modified by the addition of Sn. A delay in the formation of Ni(GeSn) was observed and is probably due to the stress relaxation in the Ni-rich phase. In addition, the thermal stability of the Ni(GeSn) phase is highly affected by Sn segregation. A model was developed to determine the kinetic parameters of Sn segregation in Ni(GeSn).
Effect of radiofrequency bias power on transmission spectrum of flat-cutoff sensor in inductively coupled plasma
Authors: Yeom Hee-Jung , Chae Gwang-Seok , Yoon Min Young , Kim Wooram , Lee Jae-Heon , Park Jun-Hyung , Park Chan-Woo , Kim Jung-Hyung , Lee Hyo-Chang
Published: September 2024

Real-time monitoring of plasma parameters at the wafer plane is important because it significantly affects the processing results, yield enhancement, and device integrity of plasma processing. Various plasma diagnostic sensors, including those embedded in a chamber wall and on-wafer sensors, such as flat-cutoff sensors, have been developed for plasma measurements. However, to measure the plasma density on the wafer surface in real-time when processing plasma with bias power, such as in the semiconductor etching process, one must analyze the transmission spectrum of the flat-cutoff sensor in an environment with bias power applied. In this study, the transmission-spectrum and measured plasma-density characteristics of an electrode-embedded flat-cutoff sensor are analyzed via electromagnetic simulations and experiments under applied bias power. Our findings indicate that the flat-cutoff sensor accurately measures the plasma density, which is equivalent to the input plasma density under low bias power. Conversely, under high bias power, the plasma density measured by the sensor is lower than the input plasma density. Also, a thick-sheath layer is formed owing to the high bias power, which may complicate the measurement of plasma parameters using the flat-cutoff sensor. Plasma diagnostics using a flat-cutoff sensor in thick-sheath environments can be achieved by optimizing the flat-cutoff sensor structure. Our findings can enhance the analysis of plasma parameters on-wafer surfaces in processing environments with bias power applied.
Direct numerical simulation of fully-developed supersonic turbulent channel flows with dense vapors
Authors: Chen Tao , Yang Bijie , Martinez-Botas Ricardo
Published: September 2024

This work aims to investigate the impact of the molecule-complexity effect and the non-ideal effect on wall-bounded turbulent flows by applying direct numerical simulation (DNS) to fully-developed channel flows of two typical organic vapors: R1233zd(E) and octamethyltrisiloxane (MDM). For each vapor, three thermodynamic states are analyzed: one in the dilute-gas region, one near the saturation line, and one in the supercritical region. For mean flow fields, it is found that, due to smaller Prandtl and Eckert numbers, both the molecule-complexity effect and the non-ideal effect reduce the mean temperature rise from the cold wall to the channel center. Meanwhile, the molecule-complexity effect weakens the mean density drop, while the non-ideal effect strengthens the drop. Furthermore, once the density and viscosity variations are considered, the mean streamwise velocity profiles of dense vapors are practically the same as the ideal gas. For turbulent fluctuations, it is found that the correlations between T′, p′, and ρ′ in dense vapors are more complicated than the ideal gas: for the ideal gas, fluctuations are dominated by “vorticity mode”; hence, ρ′ and T′ are strongly related to u′ but independent of p′; however, for dense vapors, “acoustic mode” can also play an important role. A newly derived equation illustrates that, through the “acoustic mode,” the molecule-complexity effect obviously enhances the positive correlation between ρ′ and p′, while the non-ideal effect can enhance the positive correlation between T′ and p′. Further analysis of instantaneous flow fields shows that p′ is isotropic. The isotropic character affects fluctuation magnitudes but has limited effect on the specified wall-direction turbulent transport. Consequently, Walz's equation and Reynolds analogy in terms of enthalpy are still valid. Finally, a comparison between the DNS energy budget and k equation of Reynolds-averaged Navier–Stokes (RANS) model has been carried out. Results show that obvious deviation happens on the production term in spite of the careful selection of eddy viscosity model.
Investigation of mechanisms on leading edge vortex generation and suppression in vaned diffuser of a centrifugal compressor
Authors: Cui Qin , Lei Jian , Jia Cheng , Wang Yi , Qin Guoliang
Published: September 2024

This study numerically investigates the mechanisms for generating and suppressing the leading edge vortex (LEV) in a vaned diffuser of a centrifugal compressor, aiming to enhance the compressor's stable operating range. Detailed analyses focus on the mechanisms of the rotating stall and the initiation process of the LEV. Notably, the end wall contouring method is applied to vaned diffuser to suppress the LEV and improve diffuser stability. The suppression mechanisms of the LEV are examined to deepen the understanding of stability enhancement mechanisms. Results demonstrate that, under stall conditions, the vaned diffuser experiences two-cell rotating stalls moving opposite to the impeller rotation direction, each rotating at approximately 12% of impeller rotation speed. The formation of diffuser stall is attributed to a longitudinal vortex developing from the LEV and causing the passage blockage. The increasing spanwise distortion of leading edge (LE) incidence angles and circumferential distortion of static pressures at the diffuser inlet promote the evolution of the longitudinal vortex from LEV. The end wall contouring of vaned diffuser effectively enhances the compressor's stable operating range by 15.10% and 8.90% toward lower flow rate conditions for machine Mach numbers 1.3 and 1.2, respectively. At near-stall points, the end wall contoured diffuser reduces spanwise distortion of LE incidence angles and circumferential distortion of static pressures at the diffuser inlet, mitigates the LE flow separation and corner separation, suppresses the generation and development of the LEV, delays the onset of rotating stall in vaned diffuser, and thereby improves the stable operating range of centrifugal compressor stage.
Forward and inverse river contaminant transport modeling using group preserving scheme
Authors: Saadat Amir Mohammad , Mazaheri Mehdi
Published: September 2024

Environmental concerns have necessitated the development of computational models predicting pollutant dispersion in natural water systems. Due to the ill-posed nature of the inverse contaminant transport equation, solving this equation using all stable and convergent inverse methods is impossible. Factors such as river geometry, unsteady and non-uniform flow, and tidal influences add to the complexity of the inverse problem. These factors have prompted the evaluation of Group Preserving Scheme for environmental applications. The inverse solution method derives a general equation for solving ordinary differential equations by addressing a dynamical system at negative time steps, ensuring convergence. Three test cases have been presented to evaluate Backward Group Preserving Scheme (BGPS). These have included validation using observational data from Missouri River, inverse simulation in a tidal river, and sensitivity analysis of parameters such as pollutant patterns, advection, dispersion, and decay coefficients. The dataset includes calibrated data from Missouri River, which demonstrated high accuracy, with Mean Relative Error (MRE) ranging from 2.8% to 5.0% for the inverse model. Under tidal conditions, accuracy decreases over time but remains robust, with a Nash–Sutcliffe efficiency of 0.77–0.96 and an MRE of 0.9%–5.9%. Sensitivity analysis revealed optimal model performance for Péclet numbers greater than 500. The model performed best with gradual, wide-peaked pollutant patterns and moderate decay rates (Damköhler number between 5 and 10). BGPS proves effective for transport simulation and concentration history reconstruction in complex rivers, including those with tidal influences, offering a robust tool for water contamination analysis in various flow conditions.
Trapezoidal clapboard array: Innovative approach to vortex suppression in the lateral forebay
Authors: Wang Haidong , Mao Lilei , Yang Cheng , Pan Zhichao
Published: September 2024

In light of the forebay of a lateral pump station in Shaanxi Province, numerical simulation and engineering tests were employed to analyze the correlation between the formation of multiple vortices and sediment deposition in the lateral forebay. Building upon this foundation, a total of 24 distinct rectification measures were proposed to scrutinize the alteration in flow regime within the lateral forebay, followed by an engineering test to validate the optimal scheme in the absence of rectification measures. The findings from the engineering test of the lateral forebay were consistent with the outcomes of the numerical simulation. This marked the inaugural proposition of a trapezoidal array clapboard within a lateral forebay. By adjusting the position, rotating the clapboard angle, and selecting the optimal scheme 24, the flow velocity uniformity at section C1-2 reached 93.16%, the deflection angle measured 94.32°, and the vortex area reduction rate was 87.73%, significantly mitigating the vortex impact on this section. Within section C1-3, the flow velocity uniformity attained 96.58%, the deflection angle measured 86.43°, and the vortex area reduction rate in this section amounted to 81.26%. Through the analysis of these two sections, the scheme's accuracy was validated. Additionally, the sediment deposition thickness decreased by 2.39 m under scheme 24, thus ensuring favorable operational conditions for the inlet forebay of the lateral pump station.
Strain-mediated reservoir computing with temporal and spatial co-multiplexing in multiferroic heterostructures
Authors: Sun Yiming , Chen Xing , Chen Chao , Liu Baojia , Chen Bingyu , Zhao Zhiyuan , Wei Dahai , Back Christian H. , Kang Wang , Zhao Weisheng , Lei Na
Published: September 2024

Physical reservoir computing (PRC), a brain-inspired computing method known for its efficient information processing and low training requirements, has attracted significant attention. The key factor lies in the number of computational nodes within the reservoir for its computational capability. Here, we explore co-multiplexing reservoirs that leverage both temporal and spatial strategies. Temporal multiplexing virtually expands the node count through the use of masking techniques, while spatial multiplexing utilizes multiple physical locations (e.g., Hall bars) to achieve an increase in the number of real nodes. Our experiment employs a strain-mediated reservoir based on multiferroic heterostructures. By applying a single voltage across the PMN-PT substrate (acting as global input) and measuring the output Hall voltages from four Hall bars (real nodes), we achieve significant efficiency gains. This co-multiplexing approach results in a reduction in the normalized root mean square error from 0.5 to 0.23 for a 20-step prediction task of a Mackey–Glass chaotic time series. Furthermore, the single input and four independent outputs lead to a fourfold reduction in energy consumption compared to the strain-mediated PRC with temporal multiplexing solely. This research paves the way for future energy saving PRC implementations utilizing co-multiplexing, promoting a resource-efficient paradigm in reservoir computing.
Interfacial passivation by using an amorphous hafnium oxide thin layer toward improved CH3NH3PbI3/Si heterojunction photodetectors
Authors: Chen Pengyu , Chen Mingming , Huang Jianxiang , Li Guipeng , Zhang Huimin , Zhang Chenglin , Liu Yuan , Cao Dawei
Published: September 2024

In this paper, we reported the fabrication of improved CH3NH3PbI3/Si heterojunction photodetectors (PDs) achieved by passivating the interfacial defects by a low-temperature atomic layer deposition-grown thin amorphous HfO2 layer. The results suggested that the HfO2 thin layer effectively passivated the surface defects of Si and slightly improved the qualities of CH3NH3PbI3 thin films in terms of increasing the grain sizes. Current–voltage measurements suggested that the HfO2 thin layer suppressed interfacial Shockley–Read–Hall recombination, which decreased the dark current and simultaneously increased the photocurrent. However, a thick HfO2 layer resulted in a decrease in the photocurrent because of the insulting nature of HfO2. A champion performance was obtained by employing a 5 nm HfO2 layer, where the responsivity and detectivity were 0.6 mA/W and 8.0 × 1010 Jones, respectively, which are two times and four times as high as those PDs without the HfO2 layer. The results will provide a simple strategy for improving the performance of perovskite/Si heterojunction PDs in the future.
Investigation on the oil permeation–adsorption–diffusion combined action mechanism of the adsorbed layer for flexible oil storage in waters
Authors: Hou Senlei , Xiao Liang , Wu Zhiwen , Zhang Cheng , He Sihong , Mei Guoxiong
Published: September 2024

A novel method entitled flexible oil storage in waters is proposed, aiming to address the limitations of current oil storage systems and enhance the country's oil storage capacity. However, oil contamination severely restricts its applicability. To ensure the environmental sustainability of the method, the adsorbed layer is added outside the oil bladder, and the study investigates the material and the action mechanism of the adsorbed layer for flexible oil storage in waters. The results show that, with long breakthrough time and low oil concentration as criteria, the reed straw biochar is more suitable as the adsorbed layer filling material compared to the coconut shell and the apricot shell biochar and the fluorinated ethylene propylene copolymer is more suitable as the adsorbed layer membrane material compared to polyvinyl chloride. The adsorbed layer action mechanism involves multiple interactions, including permeation, adsorption, accumulation, and diffusion. They are coupled and together influence the adsorption effect. The empirical formula for the adsorbed layer's lifespan is derived, which helps in designing the adsorbed layer to satisfy specific lifespan requirements. This study provides theoretical and engineering guidance for the application of flexible oil storage in waters, contributing to the development of oil storage techniques.
New theoretical insights on the nonradiative relaxation mechanism of the core structure of mycosporines: The amino-cyclohexenone central template
Authors: Roshan Simin , Hymas Michael , Stavros Vasilios G. , Omidyan Reza
Published: September 2024

We present a comprehensive computational study describing the excited state dynamics and consequent photostability of amino-cyclohexenone (ACyO), the central template of mycosporine systems, widely recognized for their photoprotection of aquatic species. Photoexcitation to the first excited electronic state (S1, 1nπ*) of ACyO is considered an optically dark transition, while photoexcitation to the second excited electronic state (S21ππ*) is an optically bright 1ππ* transition and largely responsible for UV absorption properties of this molecule. We show that following initial photoexcitation to S2, ACyO relaxes via two competing deactivation mechanisms, each mediated by an S1/S0 conical intersection, which directs the excited state population to the electronic ground state (S0). Our ab initio computational results are supported with nonadiabatic dynamics simulation results, yielding an excited state lifetime of ∼280 fs for this system in vacuo. These results explain the inherent photostability of this core structure, commonplace in a wide range of microorganisms.
Oxygen-close-packed (310)-plane substrates of β-Ga2O3 grown by the casting method
Authors: Yan Yuchao , Gao Xu , Liu Da , Xiong Huifan , Liu Yingying , Ma Keke , Wu Dan , Wang Jiabin , Wang Yan , Xia Ning , Deng Tianqi , Jin Zhu , Zhang Hui , Yang Deren
Published: September 2024

The highly anisotropic crystal structure of β-Ga2O3 gives rise to a variety of crystal planes, among which the (310) plane is a potentially stable close-packed plane for the O sublattice. In this paper, we report the β-Ga2O3 single crystal and substrates with a (310) major plane grown by the spontaneous nucleation technique in the casting method. High-quality crystal growth and substrate processing were confirmed by the 25.67 arc sec full width at half maximum and the 0.25 nm surface roughness. The nanoindentation experiments revealed the (310) substrate's better elastic recovery than that of (100) substrate. The Young's modulus and hardness of (310) substrates were 200 and 7.6 GPa, respectively. The surface barrier height and the Schottky barrier height were 1.25 and 0.92 eV, respectively. First principles calculations identified the (310)-Ga-I plane as the most stable surface configuration of the (310) plane under oxygen-poor condition, with a surface energy density of 1.48 J/m2. The (310) twin boundary formation around the O sublattice has a high energy density of 0.55 J/m2, suggesting its unlikelihood of spontaneous formation. These properties of (310) plane facilitate a high-quality crystal processing and epitaxial growth, thus endowing potential applications in high-quality power devices. Furthermore, the growth and fabrication of the (310) plane provide a route toward understanding the properties of β-Ga2O3 and advancing the growth techniques of oxide crystals.