bluuebunny/crossref_metadata_2025 huggingface dataset:
The choice of cooperative technology innovation strategies in a supply chain under governmental subsidy
Authors: Zhou Xuejun , Liu Zhibing , Liu Jie , Ku Zaiqiang
Published: July 2022

Governments all over the world usually establish the policy of subsidies to stimulate firms’ technology innovation behaviors. The participating firms may share the high risk of expense through cooperative technology innovation. Different forms of governmental subsidies may have a significant impact on the choice of firms’ cooperative innovation strategies. This paper investigates the effect of government subsidies on firms’ technology innovation strategies. We consider two modes of cooperative technology innovation (technology transfer or joint innovation) in a two-level supply chain including an upstream manufacturer (UM) and a downstream manufacturer (DM) in the presence of two forms of governmental subsidies (a per-unit production subsidy or an innovation subsidy). We find that in the presence of either form of governmental subsidy, technology transfer mode is better off for the UM than joint innovation mode when the UM’s distribution power is greater than a threshold, otherwise joint innovation mode is better off. In the presence of a given form of governmental subsidy, the DM’s response strategy is influenced by the interaction of different values of the proportion of revenue and the fraction of innovation cost. In the presence of a per-unit production subsidy, the social welfare is always more under technology transfer mode than under joint innovation mode, while in the presence of an innovation subsidy, the opposite is true. We also show that under a given cooperative innovation mode, both the UM and DM expect a per-unit production subsidy if the per-unit tax credit is high, and they expect an innovation subsidy if the proportion of governmental subsidy is high. Finally, we discuss the robustness of the theoretical results.
Price decisions of freebie promotion with retailer information sharing
Authors: Yan Yan , Hou Fujun
Published: July 2022

This study investigates two-echelon pricing game models in which a manufacturer provides freebies during a promotional period and a retailer considers whether to share private demand information with the manufacturer. In particular, the manufacturer produces products (e.g., high-end cosmetics) and sells them wholesale to the retailer during the regular selling period. During the promotional period, the manufacturer offers freebies as a means of gaining more profits. First, we investigate four pricing game models by considering the manufacturer’s and retailer’s different power structures under the condition that the manufacturer provides freebies. Then, numerical examples are used to comparatively analyze the equilibria in the different models. The results offer valuable managerial insights by performing a sensitivity analysis of three parameters, which are the relative length of the promotional period and a sensitivity coefficient and cost coefficient of the freebies.
Isolated toughness for path factors in networks
Authors: Wang Sufang , Zhang Wei
Published: July 2022

Let ℋ be a set of connected graphs. Then an ℋ-factor is a spanning subgraph ofG, whose every connected component is isomorphic to a member of the set ℋ. An ℋ-factor is called a path factor if every member of the set ℋ is a path. Letk ≥ 2 be an integer. By aP≥k-factor we mean a path factor in which each component path admits at leastkvertices. A graphGis called a (P≥k, n)-factor-critical covered graph if for anyW ⊆ V(G) with |W| = nand anye ∈ E(G − W),G− Whas aP≥k-factor coveringe. In this article, we verify that (1) an (n + λ + 2)-connected graphGis a (P≥2, n)-factor-critical covered graph if its isolated toughnessI(G) >n+λ+2/2λ+3, wherenandλare two nonnegative integers; (2) an (n+ λ + 2)-connected graphGis a (P≥3, n)-factor-critical covered graph if its isolated toughnessI(G) >n+3λ+5/2λ+3, wherenandλbe two nonnegative integers.
Minimizing the total weighted earliness and tardiness for a sequence of operations in job shops
Authors: Girish Baby Sivanandan , Habibullah  , Dileeplal Jessamma
Published: July 2022

This paper proposes exact algorithms to generate optimal timing schedules for a given sequence of operations in job shops to minimize the total weighted earliness and tardiness. The algorithms are proposed for two job shop scheduling scenarios, one involving due dates only for the last operation of each job and the other involving due dates for all operations on all the jobs. Computational experiments on benchmark problem instances reveal that, in the case of the scheduling scenario involving due dates only for the last operation of each job, the proposed exact algorithms generate schedules faster than those generated using a popular optimization solver. In the case of the scheduling scenario involving due dates for all operations on all the jobs, the exact algorithms are competitive with the optimization solver in terms of computation time for small and medium size problems.
Anwendung und Evaluierung der Schienenbehandlung bei der
Dupuytren‘schen Kontraktur
Authors: Pelzmann Sonja Elisabeth
Published: July 2022

Ob Literatur oder klinische Praxis: Die Schienenbehandlung bei der
Dupuytren‘schen Kontraktur nach Fasziektomie ist vielfältig und
individuell. Wie Handtherapeut*innen aus Deutschland, Österreich
und der Schweiz diese handhaben, zeigen die Ergebnisse dieser
Online-Umfrage.
Eine theoriegeleitete Implementierung von Messinstrumenten in der physiotherapeutischen Versorgung einer Stroke Unit
Authors: Paus Annalena , Grafe Marion , Stenzel Romina , Heitmann Steffen , Brümmer Werner
Published: July 2022

Hintergrund Der Einsatz von Messinstrumenten objektiviert und unterstützt die klinische Entscheidungsfindung von Physiotherapierenden bei Planung, Durchführung und Evaluation einer Therapie. Die dadurch erhaltenen Informationen ermöglichen eine patientenzentrierte Versorgung und haben das Potential, die interprofessionelle Kommunikation zu verbessern. Trotz der genannten Vorteile findet die Nutzung von Messinstrumenten im klinischen Alltag bislang keine ausreichende Anwendung.

Ziel Systematische Implementierung von Messinstrumenten in die physiotherapeutische Versorgung der Stroke Unit des Universitätsklinikums Münster mithilfe des „Implementation of Change Model“. Zudem wird evaluiert, ob durch eine Anwendung des Modells eine gesteigerte Nutzung der Messinstrumente festgestellt werden kann.

Methode Zur Implementierung von Messinstrumenten wurde das Implementation of Change Model schrittweise mit diversen Methoden umgesetzt. Zur Ergebnisevaluation wurden quantitative (Fragebogenerhebung) und qualitative Forschungsmethoden (Fokusgruppendiskussion) angewandt.

Ergebnisse Nach Abschluss der Erprobungsphase, Auswertung der Dokumentation, der Befragungen sowie einer Diskussion zeigte sich, dass durch Anwendung des Implementation of Change Models die Nutzung von Messinstrumenten bei Patient*innen mit Schlaganfall gesteigert werden konnte. Aus Sicht der Befragten nahm die Überzeugung über den klinischen Nutzen von Messinstrumenten zu. Es konnte auch eine subjektive Verbesserung der Qualität der Behandlung festgestellt werden.

Schlussfolgerung Das Implementation of Change Model eignet sich zur systematischen Anwendung durch eine Gruppe von Physiotherapierenden in der Akutversorgung, wodurch sich die Nutzung von Messinstrumenten bei Patient*innen mit Schlaganfall steigerte. Es wird empfohlen, weitere Erkenntnisse mit einer größeren Gruppe von Therapierenden und in anderen Versorgungsbereichen durchzuführen.
Novel Method for Three-Dimensional Facial Expression Recognition Using Self-Normalizing Neural Networks and Mobile Devices
Authors: Hartmann Tim Johannes , Hartmann Julien Ben Joachim , Friebe-Hoffmann Ulrike , Lato Christiane , Janni Wolfgang , Lato Krisztian
Published: July 2022

Introduction To date, most ways to perform facial expression recognition rely on two-dimensional images, advanced approaches with three-dimensional data exist. These however demand
stationary apparatuses and thus lack portability and possibilities to scale deployment. As human emotions, intent and even diseases may condense in distinct facial expressions or changes
therein, the need for a portable yet capable solution is signified. Due to the superior informative value of three-dimensional data on facial morphology and because certain syndromes find
expression in specific facial dysmorphisms, a solution should allow portable acquisition of true three-dimensional facial scans in real time. In this study we present a novel solution for
the three-dimensional acquisition of facial geometry data and the recognition of facial expressions from it. The new technology presented here only requires the use of a smartphone or tablet
with an integrated TrueDepth camera and enables real-time acquisition of the geometry and its categorization into distinct facial expressions.

Material and Methods Our approach consisted of two parts: First, training data was acquired by asking a collective of 226 medical students to adopt defined facial expressions while
their current facial morphology was captured by our specially developed app running on iPads, placed in front of the students. In total, the list of the facial expressions to be shown by the
participants consisted of “disappointed”, “stressed”, “happy”, “sad” and “surprised”. Second, the data were used to train a self-normalizing neural network. A set of all factors describing
the current facial expression at a time is referred to as “snapshot”.

Results In total, over half a million snapshots were recorded in the study. Ultimately, the network achieved an overall accuracy of 80.54% after 400 epochs of training. In test, an
overall accuracy of 81.15% was determined. Recall values differed by the category of a snapshot and ranged from 74.79% for “stressed” to 87.61% for “happy”. Precision showed similar results,
whereas “sad” achieved the lowest value at 77.48% and “surprised” the highest at 86.87%.

Conclusions With the present work it can be demonstrated that respectable results can be achieved even when using data sets with some challenges. Through various measures, already
incorporated into an optimized version of our app, it is to be expected that the training results can be significantly improved and made more precise in the future. Currently a follow-up
study with the new version of our app that encompasses the suggested alterations and adaptions, is being conducted. We aim to build a large and open database of facial scans not only for
facial expression recognition but to perform disease recognition and to monitor diseases’ treatment progresses.
Zygote Diameter and Total Cytoplasmic Volume as Useful Predictive Tools of Blastocyst Quality
Authors: Kljajic Marija , Saymé Nabil , Krebs Thomas , Wagenpfeil Gudrun , Baus Simona , Solomayer Erich-Franz , Kasoha Mariz
Published: July 2022

Introduction According to the Embryo Protection Act, the selection of embryos with the greatest potential for successful implantation in Germany must be performed in the pronucleus stage. The main aim of this study was to identify morphokinetic parameters that could serve as noninvasive biomarkers of blastocyst quality in countries with restrictive reproductive medicine laws.

Materials and Methods The sample comprised 191 embryos from 40 patients undergoing antagonist cycles for intracytoplasmic sperm injection. Blastocysts were cultured in an EmbryoScope chamber and video records were validated to determine the post-injection timing of various developmental stages, cleavage stages, and blastocyst formation. The Gardner and Schoolcraft scoring system was used to characterize blastocyst quality.

Results Morphokinetic data showed that the zygote diameter and total cytoplasmic volume were significantly different between good and poor blastocysts quality groups, where zygotes, which formed better blastocyst quality, had smaller diameter and smaller total cytoplasmic volume. Zygotes with more rapid pronuclear disappearance developed in better-quality blastocysts. Differences between good- and poor-quality blastocysts were also observed for late-stage parameters and for the spatial arrangement of blastomere where tetrahedral embryos more frequently forming good-quality blastocyst compare to the non-tetrahedral.

Conclusions The study findings could be used to enhance embryo selection, especially in countries with strict Embryo Law Regulations. Further studies, including those in which the implantation potential and pregnancy rate are considered, are warranted to confirm these preliminary results.
Early Clinical, Biochemical and Radiological Features in Obese and
Non-Obese Young Women with Polycystic Ovarian Syndrome: A Comparative
Study
Authors: Kumar Naina , Agarwal Himani
Published: July 2022

Polycystic ovarian syndrome (PCOS) is a heterogenous condition accounting for
serious health complications. The present study was conducted to assess the
early clinical, biochemical, and radiological features in obese, non-obese young
women with PCOS as compared to non-PCOS women. The study was conducted on 120
young women (18–22 years) with 80 having features of PCOS [40 obese
(BMI≥25 kg/m2) and 40 non-obese
(BMI<25 kg/m2) PCOS] as cases and 40 without PCOS as
controls in a rural tertiary care center of Northern India over one year
(2017–2018). After enrolment of cases and control, the anthropometric
measurements, early clinical symptoms, and biochemical and ultrasonographic
features were compared between the groups. Statistical analysis was done using
SPSS software version 22.0 (p-value<0.05). A significant difference in
anthropometric measurements were observed between obese and non-obese PCOS
cases. Clinical features like acne, acanthosis nigricans, and hirsutism were
more prevalent in obese PCOS as compared to non-obese and controls. On
ultrasound, PCOS cases had a significantly increased number of peripherally
arranged ovarian follicles, and ovarian volume. The LH: FSH ratio was
significantly higher in cases as compared to controls. The levels of serum LH
(10.04±1.60 vs. 8.93±2.40 mIU/ml) and total testosterone
(2.71±0.39 vs. 2.21±0.39 pg/ml) were higher in
obese PCOS as compared to non-obese PCOS cases. In conclusion, clinical,
biochemical, and radiological features can be used in the early diagnosis of
PCOS. Obesity is an independent risk factor for PCOS and is associated with an
increased risk of complications.
Impact of Overnight Wear of Orthokeratology Lens on Thickness of Tear Film Lipid Layer in Children with Myopia
Authors: Chen Yuanyuan , Liu Ming , Lu Huayi , Zhang Yong , Luo Dan , Pan Hongbiao , Wan Chuan , Szentmáry Nóra , Shi Lei
Published: July 2022

Background To elucidate the influence of overnight wear of orthokeratology (OOK) lenses on the thickness of the tear lipid layer (LLT).

Methods We conducted a retrospective cross-sectional study of children who visited The First Affiliated Hospital of USTC between July and September 2021. LLT and blinking dynamics
were assessed. Diopters and corneal topography were also recorded.

Results The number of children enrolled in this program was 402 (804 eyes). One hundred and seventy-one children (342 eyes, 79 males and 92 females) aged 4 – 17 years (10.59 ± 2.54
years) who never wore OOK were included in the control group, while 231 children (462 eyes, 121 males and 110 females) aged 7 – 18 years (11.09 ± 2.24 years) who wore OOK for more than 1
week were included in the observation group. Compared to the control group with an LLT of 58.5 ± 18.19 nm, the OOK group exhibited a significant decrease in the LLT value to
54.42 ± 17.60 nm. In addition, the LLT in females was significantly thicker than that in males in both the control (male 54.78 ± 16.56 nm, female 61.70 ± 18.95 nm) and observation groups
(male 51.88 ± 16.68 nm, female 57.21 ± 18.18 nm). It is worth noting that the influence of wearing OOK on the LLT value was only detected up to 18 months. Eighteen months later, there was
almost no difference in LLT between the control and observation groups. We also noted that there was no change in LLT correlated to the surface regularity index/surface asymmetry index.

Conclusion Wearing OOK can affect tear film LLT within the first 18 months after wear. More attention should be given to children wearing OOK for less than 18 months, especially
males.
Patient Perception of Care, Outcomes, and Consequences from Placenta Accreta Spectrum: A Survey-Based Study
Authors: Shainker Scott A. , Cornely Ronald M. , Astake Rebecca , Hacker Michele R.
Published: July 2022

Objective Placenta accreta spectrum (PAS) is an obstetric diagnosis that carries significant risks. However, little is known about patient perceptions of care. This study was conducted to describe the patient experience, reported outcomes, and assess geographical variation in PAS care in the United States.

Study Design Partnering with a PAS patient advocacy organization, we conducted an online survey of PAS patients. Perceptions of care and outcomes, and geographic variation were described.

Results We received 108 responses (69% response rate); 103 respondents delivered in the United States. Demographic characteristics were similar across each region. Most (67%) reported at least one prior cesarean delivery and 53% reported placenta previa in the PAS pregnancy. Over half (63%) reported an antenatal suspicion of PAS and 66% of those respondents reported changing their delivery hospital as a result of their antenatal diagnosis. Though not statistically significant, both showed variability across regions (both p ≥0.60). Seventy-five percent of respondents with antenatal diagnosis reported their pregnancy was managed by a dedicated PAS care team, which did not differ by region (p = 0.80). A majority of respondents (75%) felt their PAS care team was prepared for their delivery; this too did not vary across regions (p = 0.97). Many respondents reported at least one physical (63%) or mental health (17%) adverse outcome as a result of their PAS pregnancy.

Conclusion As reported by prior PAS patients, perception of care and outcomes are overall favorable. There are long-term physical and mental adverse consequences reported. Geographical variation is mixed, however, national guidelines are predominately followed.

Key Points
Trends in Procedures in the Neonatal Intensive Care Unit
Authors: Sammour Ibrahim , Karnati Sreenivas , Othman Hasan , Heis Farah , Peluso Allison , Aly Hany
Published: July 2022

Objective The aim of the study is to identify the rates and trends of various procedures performed on newborns.

Study Design The Healthcare Cost and Utilization Project (HCUP) database for the years 2002 to 2015 was queried for the number of livebirths, and various procedures using International Classification of Diseases, Ninth Revision (ICD-9) codes. These were adjusted to the rate of livebirths in each particular year. A hypothetical high-volume hospital based on data from the last 5 years was used to estimate the frequency of each procedure.

Results Over the study period, there was a decline in the rates of exchange transfusions and placement of arterial catheters. There was an increase in the rates of thoracentesis, abdominal paracentesis, placement of umbilical venous catheter (UVC) lines, and central lines with ultrasound or fluoroscopic guidance. No change was observed in the rates of unguided central lines, pericardiocentesis, bladder aspiration, intubations, and LP. Intubations were the most performed procedures. Placement of UVC, central venous lines (including PICCs), arterial catheters, and LP were relatively common, whereas others were rare such as pericardiocentesis and paracentesis.

Conclusion Some potentially lifesaving procedures are extremely rare or decreasing in incidence. There has also been an increase in utilization of fluoroscopic/ultrasound guidance for the placement of central venous catheters.

Key Points
Utility of Postnatal Chest X-Ray in Newborns for the Evaluation of Prenatally Suspected Congenital Pulmonary Airway Malformation: A Single-Center Experience
Authors: Jackson Laura E. , Yanowitz Toby D. , Waltz Paul , Vats Kalyani
Published: July 2022

Objective The aim of the study is to assess the necessity of chest X-ray (CXR) during the newborn hospitalization for all patients with prenatally suspected congenital pulmonary airway malformation (CPAM).

Study Design This is a retrospective chart review of all infants delivered with prenatally suspected CPAM at our high-risk delivery hospital from January 2013 through April 2020 (n = 44). Nonparametric tests assessed the association between postnatal CXR findings, prescribed follow-up timeline, and neonatal outcomes.

Results Mean follow-up period recommended was 6.4 weeks regardless of CXR findings in the neonatal period (p = 0.81). Additionally, patients who required respiratory support at or after birth were not more likely to have a lesion identified on chest X-ray (odds ratio [OR] = 0.72, 95% confidence interval [CI], 0.18–2.64, p = 0.71).

Conclusion Neonatal hospital course and future follow-up plan of patients with prenatally suspected CPAM were not altered by information from the CXR obtained in the immediate neonatal period, suggesting that this CXR may not be necessary in the asymptomatic patient.

Key Points
Cu-Catalyzed Selective Oxygenation of Aryl C–H Bonds with O2 and MnO2 as Terminal Oxidants
Authors: Ahmad Muhammad Siddique , Meguellati Kamel , Wang Qifeng
Published: July 2022

Herein, we present efficient methods for the selective copper-catalyzed oxidation of aromatic C–H bonds in the presence of O2 and/or MnO2. Various 2-arylpyridines and 2-arylpyrimidines are used for the controlled synthesis of mono- and diacetoxylative products in moderate to good yields (29–99%) in the presence of CuO(nano) (20 mol%), O2 and HOAc/Ac2O as an acetoxy source and solvent. The mono selective hydroxylation of C–H bonds is also achieved with Cu(OAc)2 as the catalyst. Mechanistically, a trivalent copper intermediate might be involved in the catalytic cycle.
Nitric Acid Promoted Metal-Free Bromothiolation of Internal Alkynes with Hydrobromic Acid and Disulfides
Authors: Huang Xiao-Cheng , Sun Han , Yao Zhi-Xiang , Su Hui
Published: July 2022

A novel, metal-free bromo-thiolation of internal alkynes with hydrobromic acid and disulfides has been developed. The reaction is promoted by commercial-grade nitric acid and is used to construct a series of unexplored β-bromoalkenyl sulfides in moderate to good yield. Most products were obtained with high stereoselectivity as syn-configured tetrasubstituted alkenes. Both sulfide groups of the disulfide reagent were used in this method.
Evangelisches Krankenhaus Hubertus: Klinik fürs Klima
Authors: Kohrs Jens
Published: July 2022

Schon seit Jahren trägt es das Gütesiegel „Energiesparendes Krankenhaus“, und erst kürzlich hat es wieder zwei Medaillen eingesammelt. Das Evangelische Krankenhaus Hubertus in Berlin ist ein Musterbeispiel dafür, wie sich Kliniken für das Klima und die Umwelt engagieren können. Was die Verantwortlichen in Zehlendorf antreibt und was sie noch vorhaben.
Mitsprache im G-BA: Stimmrecht für die Pflege ist nicht nur Kür, sondern Pflicht
Authors: Vogler Christine
Published: July 2022

Im Koalitionsvertrag will die Ampel-Regierung die Profession Pflege im Gemeinsamen Bundesausschuss (G-BA) stärken und ihr eine Stimme geben. Eine Entwicklung, die scheinbar nicht alle mittragen.
The striplastron: A new circular stripline microwave launcher for plasma generation in capillary tubes
Authors: Leroy O.
Published: July 2022

Until now, microwave plasmas could be ignited in small capillary tubes (inner diameter less than 1 mm) by generating surface waves propagating along their dielectric surfaces using mainly surfatron launchers or stripline-based launchers, such as “split-ring resonators.” This work presents a novel launcher, which is called the “striplastron,” because it is halfway between surfatrons and stripline launchers. It is a circular stripline directly excitated by a microcoaxial cable. Compared with the surfatron, it is smaller and the part of the plasma hidden by the launcher is limited to its thickness (∼1–2 cm). Moreover, its frequency response presents an intense and large resonance. Eventually, its geometry could allow the simultaneous ignition of several microplasmas in capillaries arranged in parallel, which could be very interesting for applications, such as the use of multi-tube microplasmas as metamaterials.
Hybrid electro-optical trap for experiments with levitated particles in vacuum
Authors: Bykov Dmitry S. , Meusburger Maximilian , Dania Lorenzo , Northup Tracy E.
Published: July 2022

We confine a microparticle in a hybrid potential created by a Paul trap and a dual-beam optical trap. We transfer the particle between the Paul trap and the optical trap at different pressures and study the influence of feedback cooling on the transfer process. This technique provides a path for experiments with optically levitated particles in ultra-high vacuum and in potentials with complex structures.
Turbulent droplet breakage in a von Kármán flow cell
Authors: Ravichandar Krishnamurthy , Vigil R. Dennis , Fox Rodney O. , Nachtigall Stephanie , Daiss Andreas , Vonka Michal , Olsen Michael G.
Published: July 2022

Droplet dispersion in liquid–liquid systems is a crucial step in many unit operations throughout the chemical, food, and pharmaceutic industries, where improper operation causes billions of dollars of loss annually. A theoretical background for the description of droplet breakup has been established, but many assumptions are still unconfirmed by experimental observations. In this investigation, a von Kármán swirling flow device was used to produce homogeneous, low-intensity turbulence suitable for carrying out droplet breakage experiments using optical image analysis. Individual droplets of known, adjustable, and repeatable sizes were introduced into an isotropic turbulent flow field providing novel control over two of the most important factors impacting droplet breakage: turbulence dissipation rate and parent droplet size. Introducing droplets one at a time, large data sets were gathered using canola, safflower, and sesame oils for the droplet phase and water as the continuous phase. Automated image analysis was used to determine breakage time, breakage probability, and child droplet size distribution for various turbulence intensities. Breakage time and breakage probability were observed to increase with increasing parent droplet size, consistent with the classic and widely used Coulaloglou–Tavlarides breakage model (C–T model). The shape of the child drop size distribution function was found to depend upon the size of the parent droplet.
Multi-scale rotation-equivariant graph neural networks for unsteady Eulerian fluid dynamics
Authors: Lino Mario , Fotiadis Stathi , Bharath Anil A. , Cantwell Chris D.
Published: July 2022

The simulation of fluid dynamics, typically by numerically solving partial differential equations, is an essential tool in many areas of science and engineering. However, the high computational cost can limit application in practice and may prohibit exploring large parameter spaces. Recent deep-learning approaches have demonstrated the potential to yield surrogate models for the simulation of fluid dynamics. While such models exhibit lower accuracy in comparison, their low runtime makes them appealing for design-space exploration. We introduce two novel graph neural network (GNN) models, multi-scale (MuS)-GNN and rotation-equivariant (RE) MuS-GNN, for extrapolating the time evolution of the fluid flow. In both models, previous states are processed through multiple coarsening of the graph, which enables faster information propagation through the network and improves the capture and forecast of the system state, particularly in problems encompassing phenomena spanning a range of length scales. Additionally, REMuS-GNN is architecturally equivariant to rotations, which allows the network to learn the underlying physics more efficiently, leading to improved accuracy and generalization. We analyze these models using two canonical fluid models: advection and incompressible fluid dynamics. Our results show that the proposed GNN models can generalize from uniform advection fields to high-gradient fields on complex domains. The multi-scale graph architecture allows for inference of incompressible Navier–Stokes solutions, within a range of Reynolds numbers and design parameters, more effectively than a baseline single-scale GNN. Simulations obtained with MuS-GNN and REMuS-GNN are between two and four orders of magnitude faster than the numerical solutions on which they were trained.
Charge transfer excitons in
π
-stacked thiophene oligomers and P3[Alkyl]T crystals: CIS calculations and electroabsorption spectroscopy
Authors: Sahoo Smruti Ranjan , Patterson Charles H.
Published: July 2022

Poly(3-alkylthiophenes) (P3[Alkyl]T) exhibit high mobility and efficiency of formation of polaronic charge carriers generated by light absorption, thus finding applications in field effect devices. Excited states of π-stacked dimers of tetra-thiophene oligomers (T4), infinite isolated polythiophene (PT) chains, and P3[Alkyl]T crystals are modeled using configuration interaction singles (CIS) calculations. Excited states in cofacial T4 dimers are mostly localized Frenkel states except for two low energy charge transfer (CT) exciton states, which become the ionization potential and electron affinity levels of T4 molecules at large dimer separation. The lowest excited states in infinite, isolated PT chains and P3[Alkyl]T crystals are intra-chain excitons where the electron and hole are localized on the same chain. The next lowest excited states are interchain, CT excitons in which the electron and hole reside on neighboring chains. The former capture almost all optical oscillator strength and the latter may be a route to efficient formation of polaronic charge carriers in P3[Alkyl]T systems. Changes in optical absorption energies of T4 dimers as a function of molecular separation are explained using CIS calculations with four frontier orbitals in the active space. Shifts in optical absorption energy observed on going from isolated chains to P3[Alkyl]T lamellar structures are already present in single-particle transition energies induced by direct π–π interactions at short range. The electroabsorption spectrum of T4 dimers is calculated as a function of dimer separation and states that are responsible for parallel and perpendicular components of the spectrum are identified.
Simulation of coalescence dynamics of droplets on surfaces with different wettabilities
Authors: Xing A. Lei , Li B. Jinyu , Jiang C. Minghu , Zhao D. Lixin
Published: July 2022

The head-on-collision coalescence dynamics for droplets on surfaces with different wettabilities was numerically investigated by using the method of coupled level set and volume of fluid, and a high-speed video experiment was used to validate the simulation results. The simulated coalescence behavior of droplets is consistent with the experiment results. We compared droplets with different Weber numbers (3.67 ≤ We ≤ 50) coalescing on solid surfaces of different wettabilities and contact angles (80° ≤ α ≤ 160°). The result is a regional division diagram that relates Weber number and contact angle based on different coalescence phenomena. The factors causing droplet deposition, air entrapment, bounce, and partial bounce during collision coalescence are described based on an analysis of interactions involving inertial forces, surface tension, and wall adhesion forces. Furthermore, the effect of Weber number and contact angle on droplet coalescence behavior is elaborated by analyzing the relationship between coalescence time and wettability radius under different Weber numbers and contact angles. Finally, through an energy analysis, we explain the maximum spreading radius and oscillation of droplets with different Weber numbers on solid surfaces with different wettabilities and in the process of head-on-collision coalescence.
Chemical potential and surface free energy of a hard spherical particle in hard-sphere fluid over the full range of particle diameters
Authors: Davidchack Ruslan L. , Laird Brian B.
Published: July 2022

The excess chemical potential μex(σ, η) of a test hard spherical particle of diameter σ in a fluid of hard spheres of diameter σ0 and packing fraction η can be computed with high precision using Widom’s particle insertion method [B. Widom, J. Chem. Phys. 39, 2808 (1963)] for σ between 0 and just larger than 1 and/or small η. Heyes and Santos [J. Chem. Phys. 145, 214504 (2016)] analytically showed that the only polynomial representation of μex consistent with the limits of σ at zero and infinity has a cubic form. On the other hand, through the solvation free energy relationship between μex and the surface free energy γ of hard-sphere fluids at a hard spherical wall, we can obtain precise measurements of μex for large σ, extending up to infinity (flat wall) [R. L. Davidchack and B. B. Laird, J. Chem. Phys. 149, 174706 (2018)]. Within this approach, the cubic polynomial representation is consistent with the assumptions of morphometric thermodynamics. In this work, we present the measurements of μex that combine the two methods to obtain high-precision results for the full range of σ values from zero to infinity, which show statistically significant deviations from the cubic polynomial form. We propose an empirical functional form for the μex dependence on σ and η, which better fits the measurement data while remaining consistent with the analytical limiting behavior at zero and infinite σ.
Electrically terahertz switchable device based on superconducting composite structure metamaterial
Authors: Li Chun , Teng Yan , Duan Siyu , Xiao Yuhua , Jiang Yushun , Su Runfeng , Yu Mei , Juan Yue , Hua Min , He Jingjing , Jiang Ling
Published: July 2022

In this work, we experimentally demonstrate an electrically tunable superconducting composite structure metamaterial capable of modulating terahertz (THz) waves. Compared with other superconducting switching devices, our device is composed of golden structures and niobium nitride (NbN) film junctions together. Its unique structural characteristics allow our device to achieve relatively large amplitude modulation effects with the smallest superconducting films. With a 4 V bias voltage, a modulation depth of 73.8% for this switch can be achieved at 0.308 THz. The experimental results agree well with the simulations. To better illustrate the physical mechanism behind the resonance mode transition, a hybrid coupling model was introduced. Our work provides an alternative tuning method and delivers a promising approach for designing active and miniaturized devices in THz cryogenic systems.
CH4 transport in micro–nano porous media associated with supercritical CO2 flooding
Authors: Deng Jia , Li Jiujiang , Zhang Lan , Song Fuquan , Wang Dong , Wang Hongjian
Published: July 2022

Injecting supercritical CO2 into tight gas reservoirs to displace CH4 is an extremely promising technology of unconventional gas exploitation. However, Darcy's law cannot describe the gas flow due to ultra-low permeability and micro–nano porosity of tight rock. The present work is an analytical approach to investigating the nonlinear seepage characteristics of CH4 displacement by supercritical CO2. Moreover, considering the steady and unsteady state conditions, mathematical models for planar linear flooding, planar radial flooding, and single well and one-well injection/one-well production types are presented, computed, and verified. Their equipotential and streamline charts are first determined by implementing the model. Additionally, by investigating variables such as formation pressure, producing pressure drop, permeability, temperature, well spacing, and mass flow, their contributions to gas production rate are determined. Finally, an approach for improving the gas recovery efficiency is obtained based on the obtained results.
Conceptual design and performance predictions for 2D beam emission spectroscopy turbulence measurements at Wendelstein 7-X
Authors: Smith D. R. , McKee G. , Den Hartog D. , Geiger B. , Grulke O. , Han X. , Jaehnig K. , Seyfert C. , Windisch T.
Published: July 2022

A conceptual design for a 2D beam emission spectroscopy diagnostic system to measure ion gyro-scale plasma turbulence at Wendeslstein 7-X is described. The conceptual design identifies field-aligned viewing geometries and ports for cross-field turbulence measurements in the neutral beam volume. A 2D sightline grid covers the outer plasma region, and the grid configuration provides sufficient k-space coverage in radial and poloidal directions for ion temperature gradient and trapped-electron mode turbulence measurements. Emission intensity estimates, optical transmission losses, and detector noise levels indicate that the measurements will be sensitive to plasma density fluctuations as small as δn/n ≈ 0.5% with a bandwidth of 1 MHz. Implementation challenges include a small beam emission Doppler shift due to nearly radial heating beams and reduced optical throughput due to collection aperture limitations.
Numerical simulation for rarefied hypersonic flows over non-rectangular deep cavities
Authors: Jin Xuhong , Cheng Xiaoli , Wang Qiang , Wang Bing
Published: July 2022

A comprehensive numerical study is performed to investigate rarefied hypersonic flows past various non-rectangular cavity configurations using the direct simulation Monte Carlo method with the effects of free-stream Mach numbers, high-temperature gas effects, and three-dimensional (3D) effects analyzed in depth. In this work, two groups of non-rectangular cavities are considered: one is the shallow-front type and the other is the shallow-rear type. The primary objective is to obtain insight into the flow characteristics and surface pressure on and heat flux to these non-rectangular cavities. Making the front or rear of the cavity shallower does not alter the flow characteristics inside the upper cavity too much, but it causes the vortex to not fill the entire cavity any longer. Instead, a “dead-water” region is formed in the bottom cavity, and this “dead-water” region becomes expanded as the front or rear of the cavity gets shallower. In addition, making the front or rear of the cavity shallower has little influence on surface pressure on and heat flux to the aft wall of the cavity, while it plays an important role in the distributions of surface pressure and heat transfer coefficients over the cavity floor. For the case of shallower-rear cavity, the surface pressure and heat flux at the right end of the cavity floor are as high as 2 and 20 times the rectangular-cavity value, respectively. Free-stream Mach number and high-temperature gas effects have a negligibly minor influence on flow characteristics inside the cavity, while 3D effects play an important role. In comparison with 2D cavities, 3D relieving effects in finite-span cavities prevent the external stream from penetrating deeper into cavities, leading to much smaller surface pressures on and heat fluxes to the cavity floors.
Quantum dynamical study of inter-chain exciton transport in a regioregular P3HT model system at finite temperature: HJ vs H-aggregate models
Authors: Mondelo-Martell Manel , Brey Dominik , Burghardt Irene
Published: July 2022

We report on quantum dynamical simulations of inter-chain exciton transport in a model of regioregular poly(3-hexylthiophene), rr-P3HT, at finite temperature using the Multi-Layer Multi-Configuration Time-Dependent Hartree method for a system of up to 63 electronic states and 180 vibrational modes. A Frenkel Hamiltonian of HJ aggregate type is used along with a reduced H-aggregate representation; electron–phonon coupling includes local high-frequency modes as well as anharmonic intermolecular modes. The latter are operative in mediating inter-chain transport by a mechanism of transient localization type. Strikingly, this mechanism is found to be of quantum coherent character and involves non-adiabatic effects. Using periodic boundary conditions, a normal diffusion regime is identified from the exciton mean-squared displacement, apart from early-time transients. Diffusion coefficients are found to be of the order of 3 × 10−3 cm2/s, showing a non-linear increase with temperature.
Hydrodynamic interaction within canonical macromolecular structures
Authors: Kanso M. A. , Pak Myong Chol , Chakraborty R. , Kim Kwang-Il , Giacomin A. J.
Published: July 2022

In general rigid bead-rod theory, we deduce the rheological properties of a suspension of macromolecules from the orientation distribution that arises during flow. The most important feature governing this orientation is macromolecular architecture, and right behind this, enters hydrodynamic interaction. Until now, general rigid bead-rod theory has neglected hydrodynamic interactions, namely, the interferences of Stokes flow velocity profiles between nearby beads. The lopsidedness of the architecture affects orientability, and so do these heretofore unexplored interferences within the macromolecule. We here employ a new method for exploring how such hydrodynamic interactions affect the complex viscosity. This method has, with great effort, been used to examine hydrodynamic interactions in complex architectures, namely, multi-bead rods and backbone-branched polymers. However, it has yet to be applied to canonical forms. In this paper, we focus on the simplest of rigid architectures: (i) rigid dumbbell, (ii) tridumbbell, (iii) rigid rings, and (iv) planar stars. We call these forms canonical. We arrive at beautiful algebraic expressions for the complex viscosity for each canonical form. We find that for the dimensionless complex viscosity, for all canonical forms, hydrodynamic interactions just depend on the ratio of the bead diameter to the nearest bead separation, d/2L≡A. Furthermore, we find that for the dimensionless complex viscosity, for canonical forms (i) and (iii), hydrodynamic interactions shift the real part upward and minus the imaginary part downward. For canonical forms (ii), both parts are unaffected. For canonical forms (iv), the story depends interestingly on the number of beads. We advance the mathematics of fluids by establishing, for intramolecular hydrodynamic interactions, the foundational equations which future work must recover.
Australian general practitioners’ perceptions of the barriers and opportunities for community-based care of patients with viral hepatitis: a mixed methods study
Authors: Taye Belaynew , Valery Patricia , Liddle Burglind , Woodward Aidan , Shahid Shaouli , Farley Rebecca , Sackey Donata , Clark Paul
Published: July 2022

Introduction Engagement of general practitioners (GPs) is essential to improving rates of diagnosis and treatment of viral hepatitis, as traditional tertiary hospital-based models of care often face challenges. Aim We investigated Australian general practitioners’ perceptions of a community-based model of care for patients with viral hepatitis. Methods We conducted a mixed methods study using survey questionnaires (23 GPs) and an open-ended interview guide (10 GPs) at primary care clinics in Brisbane, Queensland, Australia. Quantitative data were analysed using descriptive statistics in Stata 15.1 and qualitative data were analysed using thematic analysis following an inductive approach. Results Patient loss to follow up and high cost of diagnostic tests were identified as the biggest challenges to providing care for patients with viral hepatitis. Most GPs interviewed believe a more community-based model of care with support to GPs may improve uptake of care and increase both GP and patient engagement. General practitioners felt a community-based model of care could also improve viral hepatitis testing and follow-up rates. Discussion For Australian GPs, improving patient retention and diagnostics access were key pressure points in the viral hepatitis care pathway. A broader and more profound capacity-building allows community-based viral hepatitis care to be sustainable.
Using expert elicitation to identify effective combinations of management actions for koala conservation in different regional landscapes
Authors: Camus Emma B. , Rhodes Jonathan R. , McAlpine Clive A. , Lunney Daniel , Callaghan John , Goldingay Ross , Brace Angie , Hall Murray , Hetherington Scott Benitez , Hopkins Marama , Druzdzel Marek J. , Mayfield Helen J.
Published: July 2022

Context Choosing the most effective combinations of actions to manage threatened species is difficult. Aims This study aimed to identify the most effective combinations of six management actions for reversing population declines of koala populations in three regional landscapes (Coastal, Riverine and Hinterland) in north-east New South Wales, Australia, based on expert-elicited knowledge. Methods A Bayesian network was used to combine continuous probability distributions representing the impact of specific management actions and combinations of actions. Data were derived from expert elicitation. Variation within and among expert judgements was captured by incorporating submodels of individual responses. We evaluated alternative management solutions to address four mortality factors (disease and injury, vehicle strikes, domestic dogs and wild dogs/dingoes (Canis familiaris), and two habitat-related management actions (restoration and protection). Key results We show that there are marked differences in the expected response of the koala populations to the various management options in the three regional landscapes over a 20-year period (2019–2039), and that multiple management actions are required to arrest and reverse the decline in koala populations of north-east NSW. Conclusions Management actions for koala conservation should be based on regional context. Our model, in conjunction with robust expert-elicitation procedures, allows decision makers to distinguish effective from ineffective combinations of management actions for threatened species management, and has been structured so that new data can be incorporated into the model. Implications Model design could be easily adapted to different species or conservation contexts, and updated as new evidence becomes available, making it valuable in adaptive management for local to regional-scale conservation problems.