bluuebunny/crossref_metadata_2025_split huggingface dataset:
Local number fluctuations in ordered and disordered phases of water across temperatures: Higher-order moments and degrees of tetrahedrality
Authors: Klatt Michael A. , Kim Jaeuk , Gartner Thomas E. , Torquato Salvatore 
Published: May 2024

The isothermal compressibility (i.e., related to the asymptotic number variance) of equilibrium liquid water as a function of temperature is minimal under near-ambient conditions. This anomalous non-monotonic temperature dependence is due to a balance between thermal fluctuations and the formation of tetrahedral hydrogen-bond networks. Since tetrahedrality is a many-body property, it will also influence the higher-order moments of density fluctuations, including the skewness and kurtosis. To gain a more complete picture, we examine these higher-order moments that encapsulate many-body correlations using a recently developed, advanced platform for local density fluctuations. We study an extensive set of simulated phases of water across a range of temperatures (80–1600 K) with various degrees of tetrahedrality, including ice phases, equilibrium liquid water, supercritical water, and disordered nonequilibrium quenches. We find clear signatures of tetrahedrality in the higher-order moments, including the skewness and excess kurtosis, which scale for all cases with the degree of tetrahedrality. More importantly, this scaling behavior leads to non-monotonic temperature dependencies in the higher-order moments for both equilibrium and non-equilibrium phases. Specifically, under near-ambient conditions, the higher-order moments vanish most rapidly for large length scales, and the distribution quickly converges to a Gaussian in our metric. However, under non-ambient conditions, higher-order moments vanish more slowly and hence become more relevant, especially for improving information-theoretic approximations of hydrophobic solubility. The temperature non-monotonicity that we observe in the full distribution across length scales could shed light on water’s nested anomalies, i.e., reveal new links between structural, dynamic, and thermodynamic anomalies.
Quantifying spin contamination in algebraic diagrammatic construction theory of electronic excitations
Authors: Stahl Terrence L. , Sokolov Alexander Yu. 
Published: May 2024

Algebraic diagrammatic construction (ADC) is a computationally efficient approach for simulating excited electronic states, absorption spectra, and electron correlation. Due to their origin in perturbation theory, the single-reference ADC methods may be susceptible to spin contamination when applied to molecules with unpaired electrons. In this work, we develop an approach to quantify spin contamination in the ADC calculations of electronic excitations and apply it to a variety of open-shell molecules starting with either the unrestricted (UHF) or restricted open-shell (ROHF) Hartree–Fock reference wavefunctions. Our results show that the accuracy of low-order ADC approximations [ADC(2) and ADC(3)] significantly decreases when the UHF reference spin contamination exceeds 0.05 a.u. Such strongly spin-contaminated molecules exhibit severe excited-state spin symmetry breaking that contributes to decreasing the quality of computed excitation energies and oscillator strengths. In a case study of phenyl radical, we demonstrate that spin contamination can significantly affect the simulated UV/Vis spectra, altering the relative energies, intensities, and order of electronic transitions. The results presented here motivate the development of spin-adapted ADC methods for open-shell molecules.
Cow cuddling: Cognitive considerations in bovine-assisted therapy
Authors: Compitus Katherine , Bierbower Sonya M. 
Published: May 2024

Abstract
Animal-assisted therapy (AAT) is an integrative model frequently used in conjunction with other modalities such as psychodynamic psychotherapy and cognitive behavioral therapy. The most common AAT model is when a companion animal, such as a dog or cat, is integrated into a therapeutic treatment plan. This model has been studied with a variety of populations and conditions, from treating substance abuse to autism, often with positive results. Organizations that certify therapy animals will sometimes certify several species of animals to work as a therapeutic partner, such as llamas, miniature horses, and rabbits. However, to date there has been little research addressing the therapeutic benefits of animal-assisted interventions with farm animals. Cows have special behavioral traits that allow them to bond with people in a way that is unique to their size and temperament. Using the Human-Animal Interaction Scale (HAIS) as a measurement tool, we examined the behavioral and cognitive traits of cattle who work as therapy animals. Special attention will be paid to the welfare and enrichment benefits of cattle involved in bovine-assisted therapy.
Systematical High-Pressure Study of Praseodymium Nitrides in N-Rich Region
Authors: Liu 刘 Ran 冉 , Liu 刘 Shuang 爽 , Zhang 张 Ying 盈 , Wang 王 Peng 鹏 , Yao 姚 Zhen 震 
Published: May 2024

Abstract
We investigate high-pressure phase diagrams of Pr–N compounds by proposing five stable structures (Pnma-PrN, I4/mmm-PrN2, C2/m-PrN3,

P

1
¯

-PrN4, and R3-PrN8) and two metastable structures (

P

1
¯

-PrN6 and

P

1
¯

-PrN10). The

P

1
¯

-PrN6 with the N14-ring layer and R3-PrN8 with the N18-ring layer can be quenched to ambient conditions. For the

P

1
¯

-PrN10, the N22-ring layer structure transfers into infinite chains with the pressure quenched to ambient pressure. Remarkably, a novel polynitrogen hR8-N designed by the excision of Pr atoms from R3-PrN8 is obtained and can be quenched to ambient conditions. The N-rich structures of

P

1
¯

-PrN6, R3-PrN8, c-PrN10 and the solid pure nitrogen structure exhibit outstanding properties of energy density and explosive performance.
Reconstruction of inhomogeneous media by an iteration algorithm with a learned projector
Authors: Li Kai , Zhang Bo , Zhang Haiwen 
Published: May 2024

Abstract
This paper is concerned with the inverse problem of reconstructing an inhomogeneous medium from the acoustic far-field data at a fixed frequency in two dimensions. This inverse problem is severely ill-posed (and also strongly nonlinear), and certain regularization strategy is thus needed. However, it is difficult to select an appropriate regularization strategy which should enforce some a priori information of the unknown scatterer. To address this issue, we plan to use a deep learning approach to learn some a priori information of the unknown scatterer from certain ground truth data, which is then combined with a traditional iteration method to solve the inverse problem. Specifically, we propose a deep learning-based iterative reconstruction algorithm for the inverse problem, based on a repeated application of a deep neural network and the iteratively regularized Gauss–Newton method (IRGNM). Our deep neural network (called the learned projector in this paper) mainly focuses on learning the a priori information of the shape of the unknown contrast with a normalization technique in the training processes and is trained to act like a projector which is helpful for projecting the solution into some feasible region. Extensive numerical experiments show that our reconstruction algorithm provides good reconstruction results even for the high contrast case and has a satisfactory generalization ability.
Transient synergistic damage mechanism and characterization of silicon bipolar junction transistor
Authors: Tang Ge , Zhang Fuwang , Xiao Yao , Zhu Siji , Liu Jingrui , Li Mo 
Published: May 2024

Abstract
The silicon bipolar junction transistor (Si BJT) is widely used as a discrete device, but it is susceptible to damage from both ionization and displacement in nuclear radiation environments. Current research primarily focuses on steady-state irradiation to study the synergistic damage mechanism caused by ionization and displacement, with a lack of research on transient synergistic damage. This paper studies the energy deposition and distribution with different incident angles and energies when neutrons and photons are simultaneously incident, and found similarities in the energy deposition between low-energy photons and 1 MeV neutrons as well as high-energy photons and 1 MeV neutrons in synergistic damage. Additionally, transient current under simultaneous neutron and photon irradiation was calculated using COMSOL software. Simulation results indicate that by adjusting the number of photons, it is feasible to simulate the transient electrical characteristics of high-energy photons utilizing low-energy photons for synergistic damage. Hence, a novel characterization method, combining laser simulation and neutron sources, is developed to test the transient electrical characteristics of Si BJT with synergistic damage.
Extended states in random dimer gated graphene superlattices
Authors: Rodríguez-González R , García-Cervantes H , García-Rodríguez F J , Escalera Santos Gerardo J , Rodríguez-Vargas I 
Published: May 2024

Abstract
Ordered and disordered semiconductor superlattices represent structures with completely opposed properties. For instance, ordered superlattices exhibit extended Bloch-like states, while disordered superlattices present localized states. These characteristics lead to higher conductance in ordered superlattices compared to disordered ones. Surprisingly, disordered dimer superlattices, which consist of two types of quantum wells with one type always appearing in pairs, exhibit extended states. The percentage of dissimilar wells does not need to be large to have extended states. Furthermore, the conductance is intermediate between ordered and disordered superlattices. In this work, we explore disordered dimer superlattices in graphene. We calculate the transmission and transport properties using the transfer matrix method and the Landauer–Büttiker formalism, respectively. We identify and discuss the main energy regions where the conductance of random dimer superlattices in graphene is intermediate to that of ordered and disordered superlattices. We also analyze the resonant energies of the double quantum well cavity and the electronic structure of the host gated graphene superlattice (GGSL), finding that the coupling between the resonant energies and the superlattice energy minibands gives rise to the extended states in random dimer GGSLs.
Nonlinear divergence equation with potentials vanishing in some direction at infinity: the exponential critical case
Authors: Cardoso J A , Carvalho J L , de Medeiros E S 
Published: May 2024

Abstract
The purpose of this article is to state some weighted Sobolev embedding involving functions that vanishing only in a direction. In this setting we prove a weighted Trudinger–Moser type inequality and as an application, we addressed the existence of solutions to a class of elliptic equation of the form

−

div

(
a

(
x
)

∇
u
)

+
V

(
x
)

u
=
K

(
x
)

f

(
u
)

in

R

2

,

where the nonlinearity f has exponential critical growth in sense of Trudinger–Moser.
On non-contractible periodic orbits and bounded deviations
Authors: Liu Xiao-Chuan , Tal Fábio Armando 
Published: May 2024

Abstract
We present a dichotomy for surface homeomorphisms in the isotopy class of the identity. We show that, in the absence of a degenerate fixed point set, either there exists a uniform bound on the diameter of orbits of non-wandering points for the lifted dynamics in the universal covering space, or the map has non-contractible periodic orbits. We then use this new tool to characterize the dynamics of area preserving homeomorphisms of the torus without non-contractible periodic orbits, showing that if the fixed point set is non-degenerate, then either the lifted dynamics is uniformly bounded, or it has a single strong irrational dynamical direction.
Prediction model of early recurrence of multimodal hepatocellular carcinoma with tensor fusion
Authors: Wang Tianyi , Chen Haimei , Chen Zebin , Li Mingkai , Lu Yao 
Published: May 2024

Abstract

Objective. In oncology, clinical decision-making relies on a multitude of data modalities, including histopathological, radiological, and clinical factors. Despite the emergence of computer-aided multimodal decision-making systems for predicting hepatocellular carcinoma (HCC) recurrence post-hepatectomy, existing models often employ simplistic feature-level concatenation, leading to redundancy and suboptimal performance. Moreover, these models frequently lack effective integration with clinically relevant data and encounter challenges in integrating diverse scales and dimensions, as well as incorporating the liver background, which holds clinical significance but has been previously overlooked. Approach. To address these limitations, we propose two approaches. Firstly, we introduce the tensor fusion method to our model, which offers distinct advantages in handling multi-scale and multi-dimensional data fusion, potentially enhancing overall performance. Secondly, we pioneer the consideration of the liver background’s impact, integrating it into the feature extraction process using a deep learning segmentation-based algorithm. This innovative inclusion aligns the model more closely with real-world clinical scenarios, as the liver background may contain crucial information related to postoperative recurrence. Main results. We collected radiomics (MRI) and histopathological images from 176 cases diagnosed by experienced clinicians across two independent centers. Our proposed network underwent training and 5-fold cross-validation on this dataset before validation on an external test dataset comprising 40 cases. Ultimately, our model demonstrated outstanding performance in predicting early recurrence of HCC postoperatively, achieving an AUC of 0.883. Significance. These findings signify significant progress in addressing challenges related to multimodal data fusion and hold promise for more accurate clinical outcome predictions. In this study, we exploited global 3D liver background into modelling which is crucial to to the prognosis assessment and analyzed the whole liver background in addition to the tumor region. Both MRI images and histopathological images of HCC were fused at high-dimensional feature space using tensor techniques to solve cross-scale data integration issue.
Patient-specific radiation dose for Chinese pediatric patients undergoing whole-body PET/CT examinations
Authors: Jia Haoran , Xue Mengjia , Li Xianru , Zhuang Mingzan , Xie Tianwu 
Published: May 2024

Abstract

Objective. To assess potential variations in the absorbed dose between Chinese and Caucasian children exposed to 18F-FDG PET scan and to investigate the factors contributing to dose differences, this work employed patient-specific phantoms and our compartment model for calculating the patient-specific absorbed dose in Chinese children. Approach. Data of 29 Chinese pediatric patients undergoing whole-body 18F-FDG PET/CT studies were retrospectively collected, including PET images for activity distributions and corresponding CT images for organ segmentation and phantom construction. A biokinetic compartment model was implemented to obtain cumulated activities. Absorbed radiation dose for both CT and PET component were calculated using Monte Carlo simulations. Regression models were fitted to time integrated activity coefficient (TIAC) and organ absorbed dose for each patient. Main results. TIACs of all the organs in our compartment model and the organ dose for 12 organs were correlated with patients’ weight. Young children have significantly large uptake in brain compared to adults. The distinctions of anatomical and biological characteristics between Chinese and Caucasian children contribute to variations in the absorbed dose of 18F-FDG PET scans. PET contributed more in organ dose than CT did in most organs, especially in brain and bladder. The average effective dose (± SD) was 4.5 mSv (± 1.12 mSv), 7.8 mSv (± 3.2 mSv) and 12.3 mSv (± 3.5 mSv) from CT, PET and their sum respectively. PET contributed 1.7 times higher than CT. Significance. To the best of our knowledge, this work represents the first attempt to estimate patient-specific radiation doses from PET/CT for Chinese pediatric patients. TIACs derived from our methodology in both age groups exhibited significant differences from the that reported in ICRP 128. Substantial differences in absorbed and effective doses were observed between Chinese and Caucasian children across all age groups. These disparities are attributed to markedly distinct anatomical and pharmacokinetic characteristics among adults and pediatric patients, and different racial groups. The application of data derived from adults to pediatric patients introduces considerable uncertainty. Our methodology offers a valuable approach not only for estimating pharmacokinetic characteristics and patient-specific radiation doses in pediatric patients undergoing 18F-FDG studies but also for other cohorts with similar characteristics.
Investigation of a measurement-based dosimetry approach to beta particle-emitting radiopharmaceutical therapy nuclides across tissue interfaces
Authors: Bertinetti Andrew , Palmer Benjamin , Bradshaw Tyler , Culberson Wesley 
Published: May 2024

Abstract

Objective. In this work, we present and evaluate a technique for performing interface measurements of beta particle-emitting radiopharmaceutical therapy agents in solution. Approach. Unlaminated EBT3 film was calibrated for absorbed dose to water using a NIST matched x-ray beam. Custom acrylic source phantoms were constructed and placed above interfaces comprised of bone, lung, and water-equivalent materials. The film was placed perpendicular to these interfaces and measurements for absorbed dose to water using solutions of 90Y and 177Lu were performed and compared to Monte Carlo absorbed dose to water estimates simulated with EGSnrc. Surface and depth dose profile measurements were also performed. Main results. Surface absorbed dose to water measurements agreed with predicted results within 3.6% for 177Lu and 2.2% for 90Y. The agreement between predicted and measured absorbed dose to water was better for 90Y than 177Lu for depth dose and interface profiles. In general, agreement within k = 1 uncertainty bounds was observed for both radionuclides and all interfaces. An exception to this was found for the bone-to-water interface for 177Lu due to the increased sensitivity of the measurements to imperfections in the material surfaces. Significance. This work demonstrates the feasibility and limitations of using radiochromic film for performing absorbed dose to water measurements on beta particle-emitting radiopharmaceutical therapy agents across material interfaces.
Influence of the shape of a conducting chamber on the stability of rigid ballooning modes in a mirror trap
Authors: Zeng Qiusun , Kotelnikov Igor 
Published: May 2024

Abstract
MHD stabilization of flute and ballooning modes in an axisymmetric mirror trap is studied under the assumption of strong finite Larmor radius effect that suppresses all perturbations with azimuthal numbers

m
⩾
2

and makes the m = 1 mode ‘rigid’. The rigid mode can be effectively suppressed using perfectly conducting lateral wall without any additional means of stabilization or in combination with end MHD anchors. Numerical calculations were carried out for an anisotropic plasma produced in the course of neutral beam injection into the minimum of the magnetic field at the right angle to the trap axis. The stabilizing effect of the conducting shell made of a straightened cylinder is compared with a proportional chamber, which, on an enlarged scale, repeats the shape of the plasma column. It is confirmed that for convincing wall stabilization of the rigid modes, the plasma beta (β, the ratio of the plasma pressure to the magnetic field pressure) must exceed some critical value

β

cr
2

. When conducting lateral wall is combined with conducting end plates imitating MHD end anchors, there are two critical betas and, respectively, two stability zones

β
<

β

cr
1

and

β
>

β

cr
2

that can merge, making the entire range

0
<
β
<
1

of betas allowable for stable plasma confinement. The dependence of the critical betas on the plasma anisotropy, mirror ratio, width of the vacuum gap between the plasma column and the lateral wall, radial pressure profile and the axial magnetic field profile is examined.
Designing, modeling and controlling the angular bending of a foldable soft actuator without using a curvature sensor
Authors: My Nu Ho Thi , Viet Luong Quoc , Truyen Le The 
Published: May 2024

Abstract
Soft actuators have recently attracted considerable attention owing to their inherent flexibility and adaptability. Nevertheless, for a soft robot to successfully engage with its surroundings and perform tasks with optimal effectiveness, it encounters a range of obstacles, including the need for precise and skillful movement, the capacity to perceive its own position and motion and the ability to effectively regulate its flexible structures. Researchers have developed techniques to integrate curvature sensors onto flexible devices, enabling them to detect and react to their positions. However, the integration of curvature sensors into flexible structures presents a substantial challenge in the structural manufacturing process. To address these concerns, this article presents a technique for designing, dynamic modeling and controlling the bending angle of foldable soft actuator without the need for curvature sensors. An optimal design for the geometric dimensions of the soft structure utilizing origami concepts to guarantee the requisite bending properties is suggested. A model-based control method that considers both the motion dynamic and the air dynamic is proposed for controlling the angular bending of the actuator. The motion dynamic was developed using the constant volume principle of the elastomer material and the neo-Hookean hyperelastic theory to establish the correlation between the applied pressure and bending angle. This dynamic model incorporates both the hyperelastic material characteristics of silicone rubber and the geometry of the actuator. Soft actuators have variations in the air chamber’s volume during operation and accurately measuring this variation is challenging. In order to tackle this problem, the fuzzy active disturbance rejection controller is used to predict these variations. The controller possesses exceptional position-tracking capability. This control strategy exhibited excellent responsiveness throughout the range of steady-state error values from approximately 1°–2°. Removing the curvature sensor increases the longevity of this soft actuator and promotes the efficiency of the manufacturing process, hence enhancing the practical application possibilities for the soft actuator made from super elastic material.