bluuebunny/crossref_metadata_2025_split huggingface dataset:
Potential energy curves of molecular nitrogen up to N 24+
Authors: Hadjipittas A , Emmanouilidou A 
Published: August 2023

Abstract
The potential energy curves for molecular ions up to N

2

4
+

are calculated in an ab initio manner using the multi configurational self-consistent field method. Specifically, we implement in an automatic way a previously used double loop optimisation scheme within the multi configurational self-consisted field method. We obtain the potential energy curves up to N

2

4
+

ions with any combination of core, inner valence, and outer valence holes. Finally, we provide the code used to generate these potential energy curves.
Anomalous Hall effect of van der Waals metallic antiferromagnetic V5Se8
Authors: Wang Shasha , Zhang Ying , Ma Xiang , Zhang Jian , Zheng Bo , Feng Yan , Li Ruimin , Huang Meng , Zhang Shunhong , Lu Yalin , Xiang Bin 
Published: August 2023

Abstract
Two-dimensional (2D) magnetic materials have developed rapidly in recent years, which exhibited a lot of novel and interesting properties, such as the topological Hall effect, magnetic skyrmions and charge density waves. Most hitherto known 2D antiferromagnetic materials are insulating, while 2D antiferromagnets with intrinsic metallicity are rarely reported. Hindered by such shortage, the electrical properties of the metallic 2D antiferromagnetic materials remain largely unexplored. Here we report high-quality synthesis and comprehensive characterization of a van der Waals antiferromagnetic metal, V5Se8, and observation of an anomalous Hall effect in magneto-transport measurements. The temperature dependence of longitudinal-resistance reveals a metallic behavior in the as-grown V5Se8 flakes. The transversal resistance measurements reveal a non-zero Hall resistance with two antisymmetric peaks, which is attributed to a non-zero Berry curvature. Our work demonstrates the novel property of 2D metallic antiferromagnetic material V5Se8 for the application of 2D spintronics.
Tailoring angle dependent ferroelectricity in nanoribbons of group-IV monochalcogenides
Authors: Yao Cheng-Jun , Xun Wei , Yu Miao , Hao Xiang , Zhong Jia-Lin , Gu Han , Wu Yin-Zhong 
Published: August 2023

Abstract
Ferroelectricity is significant in low dimensional structures due to the potential applications in multifunctional nanodevices. In this work, the tailoring angle dependent ferroelectricity is systematically investigated for the nanoribbons and nanowires of puckered group-IV monochalcogenides MX (M =

G
e
,
S
n

; X =

S
,
S
e

). Based on first-principles calculations, it is found that the ferroelectricity of nanoribbon and nanowire strongly depends on the tailoring angle. Firstly, the critical width for the bare nanoribbon of group-IV monochalcogenide is obtained and discussed. As the nanowires are concerned, the ferroelectricity will disappear when the tailoring angle becomes small. At last, H-passivation on the edge and the strain engineering are employed to improve the ferroelectricity of nanoribbon, and it is obtained that H-passivation is beneficial to the enhancement of polarization for nanoribbons tailored near the armchair direction, while the polarization of nanoribbons tailored along the diagonal direction will decrease when the edges are passivated with H atoms, and the tensile strain along the length direction always favors the improvement of ferroelectricity of the considered nanoribbons. Therefore, tailoring angle has great influence on the ferroelectricity of nanoribbons and nanowires, which may be used as an effective way to tune the ferroelectricity and further the electronic structures of nanostructures in the field of nanoelectronics.
High-order harmonics from elliptically polarized laser for classification of topological states in 2D Chern insulators and 2D topological insulators
Authors: Kim Dasol , Chacón Alexis , Kim Dong Eon 
Published: August 2023

Abstract
High-order harmonics (HH) have drawn attention in the field of condensed matter physics mainly because of the capability of light to encode structural, dynamical, and topological information. In this paper, we address the fundamental question whether HH can map topological information in two-dimensional (2D) quantum materials by studying the interaction between topological materials and an elliptically polarized laser. We use the Haldane model for topological Chern insulators (CIs) and the Kane–Mele model for topological insulators (TIs). In the case of a circularly polarized or nearly circularly polarized driving field in CIs and TIs, the harmonic intensity of the co-rotating orders is increased. This increase in topologically non-trivial materials implies that HH can be used to detect topological transitions in 2D CIs and TIs. Moreover, interference between two spin bands in TIs does not affect the elliptical dependence of co-rotating harmonic orders in the plateau region.
An analytical method for the meshing performance of deviation surface of spiral bevel gear based on a one-dimensional probe
Authors: Li Tianxing , Dai Zhen , Zhang Yang , Xia Xinbo , Yao Jian , Li Jubo , Wang Bin 
Published: August 2023

Abstract
The meshing performance is a significant indicator for evaluating the machining quality of spiral bevel gear. The flank contact accuracy (FCA) and flank geometric accuracy (FGA) are important aspects of meshing performance, and both are indispensable. In the actual production process, due to the lack of professional meshing performance analysis (MPA) software, the flank geometric structure cannot be reflected based on the FCA, and the actual meshing state cannot be reflected by the FGA, which cannot meet the manufacturing requirements of high-quality gear. Therefore, a MPA method for deviation surface of spiral bevel gear is proposed based on the gear measuring center using a one-dimensional probe. By constructing the deviation surface, the flank meshing model is established, and the meshing parameters are determined. Aiming at the complexity of solving the meshing model, a method for decreasing the dimension of the meshing equations is proposed by establishing the mathematical relationship between the rotation angle and the normal vector, which improves the solution accuracy of the meshing point. The intersection points of the adjacent transmission error curves are taken as the meshing in and out points, and then the actual position of the contact pattern is accurately determined. The instantaneous contact ellipse is obtained by using the method of a cylindrical surface intercepting the deviation surfaces, which not only simplifies the solution algorithm, but also obtains the contact pattern more in line with the actual situation. Finally, the transmission error and contact pattern are digitally characterized. The experimental results show that the digital and actual patterns have good consistency. Flank geometry and gear meshing are organically linked based on the proposed method, and the actual meshing state can be predicted according to the flank topology deviation, which provides important theoretical support for the improvement of the machining quality and meshing performance of the spiral bevel gear.
Numerical simulation along with the experimental work for an underdamped oscillator using fourth order Runge–Kutta method. An undergraduate experiment
Authors: Khan Kamran-ul-Haq , Masroor Suhaib 
Published: August 2023

Abstract
Experiments based on oscillatory motion are an essential part of the curricula for students of physics and engineering in their undergraduate studies, such as the determination of spring constant for a well-known classical oscillator i.e., spring-mass system. Moreover, it is important for students to understand the physics of damped oscillators because, in real-world scenarios, a system involving oscillations cannot be completely analysed without understanding conditions of damped oscillations i.e., underdamped, overdamped, and critical damped. In this work, we design a computational physics lab for the simulation of the underdamped oscillator using an Excel spreadsheet by employing 4th order Runge–Kutta method. Further, we construct a simple experimental setup to observe the damped oscillation and obtaindata for the underdamped system. Final analysis was based on comparison between the experimental data and the numerically estimated data.
Tri-directional x-ray phase contrast multimodal imaging using one hexagonal mesh modulator
Authors: Tao Siwei , Tian Zonghan , Bai Ling , Wang Wei , Xu Yueshu , Kuang Cuifang , Liu Xu 
Published: August 2023

Abstract

Objective. X-ray phase contrast imaging is a promising technique for future clinical diagnostic as it can provide enhanced contrast in soft tissues compared to traditional x-ray attenuation-contrast imaging. However, the strict requirements on the x-ray coherence and the precise alignment of optical elements limit its applications towards clinical use. To solve this problem, mesh-based x-ray phase contrast imaging method with one hexagonal mesh is proposed for easy alignment and better image visualization. Approach. The mesh produces structured illuminations and the detector captures its distortions to reconstruct the absorption, differential phase contrast (DPC) and dark-field (DF) images of the sample. In this work, we fabricated a hexagonal mesh to simultaneously retrieve DPC and DF signals in three different directions with single shot. A phase retrieval algorithm to obtain artifacts-free phase from DPC images with three different directions is put forward and false color dark-field image is also reconstructed with tri-directional images. Mesh-shifting method based on this hexagonal mesh modulator is also proposed to reconstruct images with better image quality at the expense of increased dose. Main results. In numerical simulations, the proposed hexagonal mesh outperforms the traditional square mesh in image evaluation metrics performance and false color visualization with the same radiation dose. The experimental results demonstrate its feasiblity in real imaging systems and its advantages in quantitive imaging and better visualization. The proposed hexagonal mesh is easy to fabricate and can be successfully applied to x-ray source with it spot size up to 300 μm. Significance. This work opens new possibilities for quantitative x-ray non-destructive imaging and may also be instructive for research fields such as x-ray structured illumination microscopy (SIM), x-ray spectral imaging and x-ray phase contrast and dark-field computed tomography (CT).
Smooth, homogeneous, high-purity Nb3Sn superconducting RF resonant cavity by seed-free electrochemical synthesis
Authors: Sun Zeming , Baraissov Zhaslan , Porter Ryan D , Shpani Liana , Shao Yu-Tsun , Oseroff Thomas , Thompson Michael O , Muller David A , Liepe Matthias U 
Published: August 2023

AbstractWorkbench-size particle accelerators, enabled by Nb3Sn-based superconducting radio-frequency (SRF) cavities, hold the potential of driving scientific discovery by offering a widely accessible and affordable source of high-energy electrons and x-rays. Thin-film Nb3Sn RF superconductors with high quality factors, high operation temperatures, and high-field potentials are critical for these devices. However, surface roughness, non-stoichiometry, and impurities in Nb3Sn deposited by conventional Sn-vapor diffusion prevent them from reaching their theoretical capabilities. Here we demonstrate a seed-free electrochemical synthesis that pushes the limit of chemical and physical properties in Nb3Sn. Utilization of electrochemical Sn pre-deposits reduces the roughness of converted Nb3Sn by five times compared to typical vapor-diffused Nb3Sn. Quantitative mappings using chemical and atomic probes confirm improved stoichiometry and minimized impurity concentrations in electrochemically synthesized Nb3Sn. We have successfully applied this Nb3Sn to the large-scale 1.3 GHz SRF cavity and demonstrated ultra-low BCS surface resistances at multiple operation temperatures, notably lower than vapor-diffused cavities. Our smooth, homogeneous, high-purity Nb3Sn provides the route toward high efficiency and high fields for SRF applications under helium-free cryogenic operations.
Impact of back gate-drain overlap on DC and analog/HF performance of a ferroelectric negative capacitance double gate TFET
Authors: Pathakamuri Anil Kumar , Pandey Chandan Kumar 
Published: August 2023

Abstract
In this manuscript, we present a negative capacitance TFET with extended back gate-drain overlap (DEBG-NC-TFET) to enhance DC and analog/high frequency (HF) performance. TCAD-based simulations reveal that DEBG-NC-TFET offers a significant enhancement in ION and SS because of a Ferroelectric (FE) layer introduced into the gate-oxide layer of the device, without deteriorating its other parameters. This work examines the effects of various factors of NC including coercive electric field (Ec) and remnant polarization (Pr) on memory window (MW) to improve the read margin of the device. With an optimum thickness of FE layer, DEBG-NC-TFET is found to offer a huge reduction in the ambipolar current (Iamb) with unchanged IOFF and ION as compared with those of symmetric gate-drain overlap (DSYG) and conventional DG-NC-TFET. The vertical component of the field induced inside the drain region increases the layer of depleted charge at the channel-drain interface, which enhances the barrier width and restricts the charge carriers from tunneling at the ambipolar state. Furthermore, incorporating back gate-drain overlap into DG-NC-TFET resolves the trade-off between parasitic capacitances and ambipolarity as overall gate capacitance is found to be reduced for DEBG-NC-TFET. Apart from reduction in gate parasitic capacitance, various HF parameters like gain–bandwidth product (GBWP) and cutoff-frequency (fT) are also found to be improved for DEBG-NC-TFET as compared to DSYG-NC-TFET. Finally, a resistive load inverter analysis shows that various parameters like propagation delay, full swing, and peak over- and undershoots are significantly improved when only the back gate overlaps the drain region of DG-NC-TFET.
Predicting mortality risk after a fall in older adults using health care spending patterns: a population-based cohort study
Authors: Katsiferis Alexandros , Mortensen Laust Hvas , Khurana Mark P , Mishra Swapnil , Jensen Majken Karoline , Bhatt Samir 
Published: August 2023

Abstract

Objective
To develop a prognostic model of 1-year mortality for individuals aged 65+ presenting at the emergency department (ED) with a fall based on health care spending patterns to guide clinical decision-making.

Design
Population-based cohort study (n = 35,997) included with a fall in 2013 and followed 1 year.

Methods
Health care spending indicators (dynamical indicators of resilience, DIORs) 2 years before admission were evaluated as potential predictors, along with age, sex and other clinical and sociodemographic covariates. Multivariable logistic regression models were developed and internally validated (10-fold cross-validation). Performance was assessed via discrimination (area under the receiver operating characteristic curve, AUC), Brier scores, calibration and decision curve analysis.

Results
The AUC of age and sex for mortality was 72.5% [95% confidence interval 71.8 to 73.2]. The best model included age, sex, number of medications and health care spending DIORs. It exhibited high discrimination (AUC: 81.1 [80.5 to 81.6]), good calibration and potential clinical benefit for various threshold probabilities. Overall, health care spending patterns improved predictive accuracy the most while also exhibiting superior performance and clinical benefit.

Conclusions
Patterns of health care spending have the potential to significantly improve assessments on who is at high risk of dying following admission to the ED with a fall. The proposed methodology can assist in predicting the prognosis of fallers, emphasising the added predictive value of longitudinal health-related information next to clinical and sociodemographic predictors.
Improving descriptive terminology using a descriptive algorithm as an educational intervention to improve referral accuracy
Authors: Middleton David W , Dolan Olivia 
Published: August 2023

Abstract
The accuracy of clinical communication in referrals to dermatology has not been fully explored. Baseline analysis of inpatient ward referral to a dermatology service revealed that only 37% of referrals used accurate descriptive terminology. Theme analysis of individual descriptive terms used was performed to assess knowledge deficits and develop a novel intervention to improve descriptive accuracy. A descriptive algorithm was developed to act as a scaffolding resource for the use of descriptive terms. The Belfast Dermatology Descriptive Algorithm was developed as a tool to determine primary and secondary morphological features of eruptions, and to highlight common clinical pitfalls. It was designed to adhere to principles of adult learning. Assessment was completed following the introduction of the algorithm. The accuracy of descriptions used was increased to 70% with the introduction of the resource. This outcome reflects how educational interventions, in the format of an accessible resource tool, can be used as a unique intervention to improve education in clinical practice.
147. CHARACTERISTICS AND PREDICTORS OF EARLY POSTOPERATIVE RECURRENCE OF ESOPHAGEAL CANCER
Authors: Sato Shinsuke , Nagai Erina , Taki Yusuke , Nishida Masato , Watanabe Masaya , Oba Noriyuki 
Published: August 2023

Abstract

Background
Recurrence after radical esophageal cancer surgery is known to occur in 30–50% of cases, mostly within 2 years after surgery. This study aimed to clarify the characteristics of patients with early recurrence within 6 months after esophageal cancer surgery and the risk factors for early recurrence.

Methods
A total of 350 patients who underwent esophagectomy between January 2011 and August 2021 were included in this study. Patient background factors were compared among three groups: the early recurrence group with recurrence within 6 months after surgery, the late recurrence group with recurrence after 6 months after surgery, and the recurrence-free group. Multivariate logistic regression was used to analyze the association between various predictors and early postoperative recurrence.

Results
Postoperative recurrence occurred in 141 patients (40.1%). Recurrence within 6 months after surgery occurred in 65 patients, and recurrence after 6 months in 76 patients. The proportion of advanced clinical stage increased in patients with early postoperative recurrence. Significant differences between the three groups were found for CRP, SCC, Neutrophil, neutrophil-to-lymphocyte ratio (NLR), and platelet-to-lymphocyte ratio. Prognostic nutrition index、advanced lung cancer inflammation (BMI × Alb/NLR) were significantly less in patients with early postoperative recurrence. Multivariate analysis showed that clinical stage, pathological lymph node metastasis, and NLR were independent prognostic factors for early postoperative recurrence.

Conclusions
Preoperative NLR may be a valuable early postoperative recurrence factor for patients with esophageal cancer undergoing esophagectomy.
153. PROPENSITY MATCHING ANALYSIS OF NEOADJUVANT CHEMORADIOTHERAPY AND NEOADJUVANT IMMUNOTHERAPY COMBINED WITH CHEMOTHERAPY IN THE TREATMENT OF LOCALLY ADVANCED ESCC
Authors: Duan Xiaofeng , Jiang Hongjing 
Published: August 2023

Abstract

Background
The combination of neoadjuvant chemoradiotherapy (NCR) with surgical resection remains the standard treatment option for locally advanced esophageal squamous cell carcinoma (ESCC). Chemotherapy combined with immunotherapy has become a first-line treatment option for advanced and metastatic ESCC. The study of neoadjuvant chemotherapy combined with immunotherapy (NCI) in locally advanced ESCC is in full swing, and its effectiveness and safety need further study.

Methods
The data of patients with locally advanced ESCC who underwent neoadjuvant therapy combined with surgery in our hospital from 2014 to 2022 were included, and a retrospective control study was carried out. The perioperative and pathological results of patients in the NCI group and NCR group were analyzed by 1:1 propensity score matching to determine the effectiveness and safety of NCI.

Result
A total of 214 patients were included in the study, including 136 patients with NCR and 78 patients with NCI. After 1:1 propensity score matching, 66 patients in each group were included in the final analysis. There was no significant difference in baseline characteristics, including age, gender, smoking and drinking history, comorbidity, cT stage, cN stage, cTNM stage, etc. The pathological results showed that the pCR rate of the NCR group was 27.3% (18/66), while the pCR rate of the NCI group was 25.8% (20/57), with no statistical difference (p &gt; 0.05). The interval between neoadjuvant therapy and surgery in the NCR group was 47.1 ± 13.2 days, significantly longer than that of 34.7 ± 8.8 days in the NCI group (p &lt; 0.001). There was no significant difference in the overall postoperative complications, pneumonia, and anastomotic leakage rates between the two groups of patients.

Conclusion
The results of this study indicate that there is no significant difference in the incidence of perioperative complications and pathological response between NCI and NCR group. As a new treatment option, the efficacy and safety of NCI are not inferior to NCR, but prospective randomized controlled studies are still needed to verify our results.
158. PACLITAXEL PLUS CISPLATIN AND 5 FUOROURACIL INDUCTION CHEMOTHERAPY FOR BORDERLINE RESECTABLE ESOPHAGEAL SQUAMOUS CELL CARCINOMA: 3-YEAR SURVIVAL RESULT
Authors: Wu Jia-Di , Wu Jia-Di , Wang Zhi-Qiang , Li Zhi-Chao , Li Yu-Hong 
Published: August 2023

Abstract

Background
A phase 2 trial analyzed the safety and efficacy of TPF induction chemotherapy followed by surgery for locally advanced borderline-resectable esophageal squamous cell carcinoma (NEOCRTEC-1601 clinical trial). This study presents updated 3-year analyses to further characterize the impact of TPF chemotherapy followed by surgery.

Methods
Patients diagnosed with BR-ESCC because of the primary tumor or bulky lymph node that potentially invaded adjacent organs were eligible. The treatment started with TPF chemotherapy, followed by surgery if the cancer was resectable, or by concurrent chemoradiation if it was unresectable. This updated analysis presents the 2- and 3-year overall survival rates and progression-free survival rates.

Results
A total of 27 patients (57.4%) received surgery and R0 resection was confirmed in 25 patients (53.2%). Pathologic complete response was confirmed in 4 patients (8.5%). The median follow-up time for the patients surviving without death was 44.8 months (range, 3.4–74.6 months). The median OS for all patients was 41.9 months (95% CI 18.6–65.3), with a median PFS of 38.7 months (95% CI 23.5–53.9). The 3-year survival rate of all patients was 54.4%. The OS and PFS for R0 group patients were significantly longer than those in non-R0 group (median OS: undefined vs. 26.5 months, HR 0.38; 95% CI 0.17–0.85, P = 0.010; median PFS: undefined vs. 17.2 months, HR 0.41, 95% CI 0.18–0.91, P = 0.016). The 3-year survival rate was 65.4% for the R0 group patients compared with 40.3% for the non-R0 patients (HR 0.41, 95%CI 0.16–0.91, P = 0.034).

Conclusions
Long-term follow-up evaluation confirmed that TPF followed by surgery is feasible and promising in terms of survival for BR-ESCC patients.