bluuebunny/crossref_metadata_2025 huggingface dataset:
An extension of first principle combined Monte Carlo method to simulate secondary electron yield of anisotropic crystal Al2O3
Authors: Zhang Jianwei , Niu Ying , Yan Runqi , Zhang Rongqi , Cao Meng , Li Yongdong , Liu Chunliang , Zhang Jiawei , Luo Wei
Published: January 2024

An extension of a first-principle combined Monte Carlo method is proposed in this work to obtain the secondary electron emission characteristics of anisotropic crystal Al2O3. Unlike isotropic crystal Cu, density functional theory calculations reveal that the q-dependent energy loss function of Al2O3 in all directions is different. Therefore, an interpolation algorithm is introduced in the Monte Carlo method to determine the loss of energy and inelastic mean free path of electrons. The simulation results are in good agreement with experimental data. This method can be further used to simulate the secondary emission yield of other anisotropic crystal materials.
Regulating pre-aggregation in non-halogenated solvent to enhance the efficiency of organic solar cells
Authors: Zhang Lin , Guo Xueliang , Deng Wen , He Yuxin , Ning Bocheng , Yang Xinhui , Xie Bomin , Yuan Xiaoming , Zhou Weihua , Hu Lin , Zhang Yong , Hu Xiaotian , Ma Wei , Yuan Yongbo
Published: January 2024

Optimizing the morphology of an active layer in organic solar cells (OSCs) through precise control of precursor solution aggregation is a crucial step in enhancing photovoltaic performance. However, the considerable difference in solubility among organic materials in environmentally friendly solvents, such as non-halogenated solvents, poses a challenge in simultaneously modulating the pre-aggregation of both donor and acceptor. Herein, we employ a synergistic approach that involves heat treatment and the addition of a solid additive to regulate the aggregation behavior of PM6 (donor) and BTP-ec9 (acceptor) within an o-xylene solvent. Our findings reveal that PM6 exhibits strong temperature-dependent aggregation tendencies, while the solid additive 1,4-diiodobenzene (DIB) notably influences the aggregation of BTP-ec9. Thus, treating the precursor solution at 90 °C and adding DIB result in a well-matched aggregation between donor and acceptor, effectively optimizing the crystallization and phase separation morphology of the active layer. This strategic intervention leads to an outstanding efficiency of 18.07%, with a fill factor of 78.65%, for the corresponding device, which ranks among the highest efficiencies for the non-halogenated solvent-processed OSCs. Importantly, this study also demonstrates the feasibility of fabricating thick-film and large-area OSCs by blade-coating, achieving efficiencies of 16.15% and 15.29%, showcasing substantial potential for commercial applications.
Binder-free barium-implanted MnO2 nanosheets on carbon cloth for flexible zinc-ion batteries
Authors: Li Yueying , Li Na , Li Zhen , Wang Jian-Gan
Published: January 2024

The intrinsically low electrical conductivity and poor structural fragility of MnO2 have significantly hampered the zinc storage performance. In this work, Ba2+-implanted δ-MnO2 nanosheets have been hydrothermally grown on a carbon cloth (Ba–MnO2@CC) as an extremely stable and efficient cathode material of aqueous zinc-ion batteries. The three-dimensionally porous architecture composed of interwoven thin MnO2 nanosheets effectively shortens the electron/ion transport distances, enlarges the electrode/electrolyte contact area, and increases the active sites for the electrochemical reaction. Meanwhile, Ba2+ could function as an interlayer pillar to stabilize the crystal structure of MnO2. Consequently, the as-optimized Ba–MnO2@CC exhibits remarkable Zn2+ storage capabilities, such as a high capacity (305 mAh g−1 at 0.2 A g−1), prolonged lifespan (95% retention after a 200-cycling test), and superb rate capability. The binder-free cathode is also applicable for flexible energy storage devices with attractive properties. The present investigation provides important insights into designing advanced cathode materials toward wearable electronics.
An immersed boundary velocity correction method combined with virtual body-fitted grid for simulation of incompressible flows
Authors: Du Yinjie , Yang Liming , Xiao Yang , Song Yuxin , Shu Chang
Published: January 2024

In this work, a virtual body-fitted grid is introduced into the velocity correction-based immersed boundary method (IBM) to simulate incompressible flows. The impact of the immersed boundary is indirectly transmitted to the flow field via a virtual body-fitted grid. In this method, the fractional step technique consisting of the predictor and the corrector is adopted. The prediction step is executed on the Eulerian mesh, and the correction step is done on the virtual grid to fulfill the no-slip boundary condition. After the correction step, the corrected velocity field on the virtual grid is then assigned to that on the Eulerian mesh to update the flow field. Being able to adjust the grid spacing flexibly, the virtual body-fitted grid alleviates the shortcomings of the conventional IBM that uses the smooth Dirac delta function to associate Lagrangian points with their surrounding Eulerian points. As a result, the present method is easy to apply to non-uniform Cartesian grids, which is inapplicable to the conventional IBM with the smooth Dirac delta function. Numerical experiments concerning flow past a circular cylinder and a NACA0012 airfoil demonstrate the advantages of the present method, i.e., fewer Lagrangian points are required to avoid the streamline penetration of boundary and the range of “diffuse interface” can be narrowed by reducing the normal grid spacing of the virtual body-fitted grid to improve numerical results on a coarse mesh. In addition, an accuracy assessment on the decaying vortex problem reveals that the present IBM has a second-order accuracy.
Advanced technologies of FBAR for tuning effective electromechanical coupling coefficient
Authors: Qu Yuanhang , Liu Yan , Gu Xiyu , Wei Min , Chen Xiang , Huang Xiaoming , Liu Zesheng , Ding Jiaqi , Wen Zhiwei , Cai Yao , Liu Wenjuan , Guo Shishang , Sun Chengliang
Published: January 2024

The film bulk acoustic wave resonator (FBAR) is one of the most popular devices in the radio frequency field. Numerous researchers are simultaneously working to develop an effective electromechanical coupling coefficient (keff2) tuning technology, aiming to meet the diverse bandwidth requirements of the 5 G era. Based on a traditional FBAR process, this work prepares several different devices and then analyzes the four factors that influence keff2 from the perspective of process, material, and design. The pillar structure achieves the largest keff2 tuning range of 2.84% (33 MHz). The composite piezoelectric film can tune the overall resonant frequency in a wide range, and its keff2 tuning range is 1.75% (12.5 MHz). The area effect tunes the fs in a small range, ultimately achieving a keff2 tuning range of 1.16% (11 MHz). Film stress regulation achieves keff2 tuning range of 2.73% (30 MHz), but it has the greatest difficulty. The integration of various keff2 tunable methods has important guiding significance for the design of FBAR filters in the future.
Microscopic theory of a Janus motor in a non-equilibrium fluid: Surface hydrodynamics and boundary conditions
Authors: Robertson Bryan , Schofield Jeremy , Kapral Raymond
Published: January 2024

We present a derivation from the first principles of the coupled equations of motion of an active self-diffusiophoretic Janus motor and the hydrodynamic densities of its fluid environment that are nonlinearly displaced from equilibrium. The derivation makes use of time-dependent projection operator techniques defined in terms of slowly varying coarse-grained microscopic densities of the fluid species number, total momentum, and energy. The exact equations of motion are simplified using time scale arguments, resulting in Markovian equations for the Janus motor linear and angular velocities with average forces and torques that depend on the fluid densities. For a large colloid, the fluid equations are separated into bulk and interfacial contributions, and the conditions under which the dynamics of the fluid densities can be accurately represented by bulk hydrodynamic equations subject to boundary conditions on the colloid are determined. We show how the results for boundary conditions based on continuum theory can be obtained from the molecular description and provide Green–Kubo expressions for all transport coefficients, including the diffusiophoretic coupling and the slip coefficient.
Equation of state for tungsten obtained by direct solving the partition function
Authors: Tian Yue-Yue , Ning Bo-Yuan , Zhang Hui-Fen , Ning Xi-Jing
Published: January 2024

Utilization of metal tungsten (W) as the structural material or pressure scale requires accurate knowledge of the equation of state (EOS), which is far beyond the available experimental measurements. In the present work, a direct integral approach (DIA) with ultrahigh efficiency was applied to calculate the EOS of W up to 500 GPa and 3000 K with ab initio calculations. Compared with previous static compression experiments up to 150 GPa under room temperature and 35 GPa at high temperatures up to 1673 K, all the deviations of the calculated pressure are within or comparable to the uncertainty of experiments. Predictions for higher-temperature and simultaneously higher-pressure EOS up to 300 GPa and 3000 K differ slightly from the comprehensive analysis by Litasov et al. [J. Appl. Phys. 113, 133505 (2013)] via fitting available experimental data with the empirical equation. These results indicate that the EOS of crystal W obtained from DIA should be convincible, and DIA without any empirical or artificial parameters may find its wide applications for predicting thermodynamic properties of condensed matter in the future.
Sm, Pt asymmetric n- and p-type contacts in WSe2 phototransistor for high-performance broadband photodetection
Authors: Wang Dong , Tan Chao , Wu Haijuan , Yang Lei , Wang Zegao
Published: January 2024

The development of high-performance broadband photodetectors working at room temperature is still attractive. The Schottky barrier phototransistor based on asymmetric junction seems to be endowed with such potential—as photodetectors with low device power consumption and high photoresponse; however, it is rarely studied. Herein, a Sm–WSe2–Pt phototransistor with asymmetric metal contacts is constructed, and it is systematically investigated for their electronic and photoelectronic tunability via gate voltage, wavelength, and illumination power density. It was found that the tunable photogating process dominates the photoresponse mechanism, which allows for an excellent broadband photodetection from 300 to 1000 nm wavelength. In addition, the responsivity (R) and specific detectivity (D*) at 450 nm can reach 1723 A/W and 2.3 × 1013 Jones, respectively, while that of infrared illumination of 900 nm can reach 4.7 A/W and 3.1 × 1010 Jones, respectively. In addition, the device exhibits obvious photoresponse at zero bias, the R and D* can reach up to 27 mA/W and 8.5 × 1010 Jones, which realizes self-driven photodetection. This work provides an optimal option for realizing high-integrated, high-performance, low-power-consuming, and room-temperature-working broadband photodetectors.
Applying two remotely-sensed methods for monitoring grazing impacts in the Australian arid zone
Authors: Bastin Gary , Cowley Robyn , Friedel Margaret , Materne Chris
Published: January 2024

Objective monitoring methods that reliably identify grazing impact are required for long-term sustainable management in the arid rangelands. In Australia such methods must contend with highly unpredictable rainfall and large paddocks incorporating spatially complex land types with differing grazing preferences. Retrospective analysis of data collected following very dry and very wet periods removes vegetation dynamics generated by lesser rainfall events and should increase our ability to separate grazing effects from seasonal variability. Two remote-sensing methods were tested for their capacity to quantify trends over 30 years in vegetation-cover dynamics on a pastoral lease in central Australia with a history of heavy grazing. Following destocking by 2002, one section became a conservation reserve and another transitioned to a research station. During drought, the Dynamic Reference Cover Method (DRCM) showed that ground-cover deficit was less negative on both areas towards the end of the study. This improvement was attributable to increased ground cover after removal of grazing, followed by a reduced, but variable, grazing intensity on the research station and the spread of an introduced palatable perennial grass. Ground-cover response following rainfall was highest in 2011. Likewise, increased ground cover meant that the percentage Cover Production Loss (%CPL) index, calculated using grazing gradient methods (GGMs), was considerably less than a decade earlier following similar rainfall. Results from an associated recovery index (R) were inconclusive. Landscape heterogeneity potentially affected calculation of cover deficit using DRCM but, because heterogeneity was stable over time, reported change between dry years reliably indicated a trend owing to grazing. Interpreting trend from successive %CPL values in wet periods was complicated on the research station by altered waterpoint locations being superimposed on pre-existing degradation; however, the method should be effective in large paddocks with stable waterpoint locations. Despite their limitations, both methods can assist in objectively judging the long-term sustainability of grazing practices in contrasting seasonal conditions.
Sustainability from a cell perspective
Authors: Clarke R.J.
Published: January 2024

Sustainability is a worldwide problem, for cells as it is for human beings and our whole planet. The key to solving the sustainability problem is recycling. In cells, this is accomplished within the lysosome. All biological macromolecules, such as proteins and nucleic acids, which are past their use-by-date, are transported into the lysosome, where enzymes degrade them into their monomeric building blocks. These enzymes are only active at the low pH of ~4.7 of the lysosome lumen. After degradation, the building blocks are transported out of the lysosome into the cytoplasm, where they are used for the biosynthesis of new proteins and nucleic acids. Because of the need to encapsulate the degrading enzymes within the lysosome to avoid damage to functionally active proteins and nucleic acids, the lysosome membrane is a powerhouse of solute transport within the cell. This recycling process is crucial for the survival of cells, particularly neurons, which are no longer capable of cell division. Defects in this process cause many hereditary neurodegenerative diseases. But because of their rarity, pharmaceutical companies are not particularly interested in finding cures. However, the diagnosis of neurodegenerative disease is devastating for the family of any afflicted child. One group of neurodegenerative diseases is termed Batten disease. While symptoms vary, all are caused by lysosomal dysfunction, resulting in the steady build-up of waste material in the cell. Disease progression is typically characterised by the development of blindness, followed by the onset of seizures and early death, typically in the twenties. Understanding the disease would not only help its sufferers but also provide valuable information on a crucial cell function, i.e. how cells recycle their waste. We will describe how biophysical measurements are helping to provide some insights into the molecular physiology of lysosome function and the pathology of Batten disease.
Constraining the oxygen requirements for modern microbial eukaryote diversity
Authors: Mills Daniel B. , Simister Rachel L. , Sehein Taylor R. , Hallam Steven J. , Sperling Erik A. , Crowe Sean A.
Published: January 2024

Eukaryotes originated prior to the establishment of modern marine oxygen (O
2
) levels. According to the body fossil and lipid biomarker records, modern (crown) microbial eukaryote lineages began diversifying in the ocean no later than ~800 Ma. While it has long been predicted that increasing atmospheric O
2
levels facilitated the early diversification of microbial eukaryotes, the O
2
levels needed to permit this diversification remain unconstrained. Using time-resolved geochemical parameter and gene sequence information from a model marine oxygen minimum zone spanning a range of dissolved O
2
levels and redox states, we show that microbial eukaryote taxonomic richness and phylogenetic diversity remain the same until O
2
declines to around 2 to 3% of present atmospheric levels, below which these diversity metrics become significantly reduced. Our observations suggest that increasing O
2
would have only directly promoted early crown-eukaryote diversity if atmospheric O
2
was below 2 to 3% of modern levels when crown-eukaryotes originated and then later met or surpassed this range as crown-eukaryotes diversified. If atmospheric O
2
was already consistently at or above 2 to 3% of modern levels by the time that crown-eukaryotes originated, then the subsequent diversification of modern microbial eukaryotes was not directly driven by atmospheric oxygenation.
Multiscale spatial mapping of cell populations across anatomical sites in healthy human skin and basal cell carcinoma
Authors: Ganier Clarisse , Mazin Pavel , Herrera-Oropeza Gabriel , Du-Harpur Xinyi , Blakeley Matthew , Gabriel Jeyrroy , Predeus Alexander V. , Cakir Batuhan , Prete Martin , Harun Nasrat , Darrigrand Jean-Francois , Haiser Alexander , Wyles Saranya , Shaw Tanya , Teichmann Sarah A. , Haniffa Muzlifah , Watt Fiona M. , Lynch Magnus D.
Published: January 2024

Our understanding of how human skin cells differ according to anatomical site and tumour formation is limited. To address this, we have created a multiscale spatial atlas of healthy skin and basal cell carcinoma (BCC), incorporating in vivo optical coherence tomography, single-cell RNA sequencing, spatial global transcriptional profiling, and in situ sequencing. Computational spatial deconvolution and projection revealed the localisation of distinct cell populations to specific tissue contexts. Although cell populations were conserved between healthy anatomical sites and in BCC, mesenchymal cell populations including fibroblasts and pericytes retained signatures of developmental origin. Spatial profiling and in silico lineage tracing support a hair follicle origin for BCC and demonstrate that cancer-associated fibroblasts are an expansion of a
POSTN
+ subpopulation associated with hair follicles in healthy skin.
RGS5+
pericytes are also expanded in BCC suggesting a role in vascular remodelling. We propose that the identity of mesenchymal cell populations is regulated by signals emanating from adjacent structures and that these signals are repurposed to promote the expansion of skin cancer stroma. The resource we have created is publicly available in an interactive format for the research community.
Magnon-mediated qubit coupling determined via dissipation measurements
Authors: Fukami Masaya , Marcks Jonathan C. , Candido Denis R. , Weiss Leah R. , Soloway Benjamin , Sullivan Sean E. , Delegan Nazar , Heremans F. Joseph , Flatté Michael E. , Awschalom David D.
Published: January 2024

Controlled interaction between localized and delocalized solid-state spin systems offers a compelling platform for on-chip quantum information processing with quantum spintronics. Hybrid quantum systems (HQSs) of localized nitrogen-vacancy (NV) centers in diamond and delocalized magnon modes in ferrimagnets—systems with naturally commensurate energies—have recently attracted significant attention, especially for interconnecting isolated spin qubits at length-scales far beyond those set by the dipolar coupling. However, despite extensive theoretical efforts, there is a lack of experimental characterization of the magnon-mediated interaction between NV centers, which is necessary to develop such hybrid quantum architectures. Here, we experimentally determine the magnon-mediated NV–NV coupling from the magnon-induced self-energy of NV centers. Our results are quantitatively consistent with a model in which the NV center is coupled to magnons by dipolar interactions. This work provides a versatile tool to characterize HQSs in the absence of strong coupling, informing future efforts to engineer entangled solid-state systems.
Development of 2nd generation aminomethyl spectinomycins that overcome native efflux inMycobacteriumabscessus
Authors: Phelps Gregory A. , Cheramie Martin N. , Fernando Dinesh M. , Selchow Petra , Meyer Christopher J. , Waidyarachchi Samanthi L. , Dharuman Suresh , Liu Jiuyu , Meuli Michael , Molin Michael Dal , Killam Benjamin Y. , Murphy Patricia A. , Reeve Stephanie M. , Wilt Laura A. , Anderson Shelby M. , Yang Lei , Lee Robin B. , Temrikar Zaid H. , Lukka Pradeep B. , Meibohm Bernd , Polikanov Yury S. , Hobbie Sven N. , Böttger Erik C. , Sander Peter , Lee Richard E.
Published: January 2024

Mycobacterium abscessus(Mab), a nontuberculous mycobacterial (NTM) species, is an emerging pathogen with high intrinsic drug resistance. Current standard-of-care therapy results in poor outcomes, demonstrating the urgent need to develop effective antimycobacterial regimens. Through synthetic modification of spectinomycin (SPC), we have identified a distinct structural subclass of N-ethylene linked aminomethyl SPCs (eAmSPCs) that are up to 64-fold more potent againstMabover the parent SPC. Mechanism of action and crystallography studies demonstrate that the eAmSPCs display a mode of ribosomal inhibition consistent with SPC. However, they exert their increased antimicrobial activity through enhanced accumulation, largely by circumventing efflux mechanisms. The N-ethylene linkage within this series plays a critical role in avoiding TetV-mediated efflux, as lead eAmSPC 2593 displays a mere fourfold susceptibility improvement againstMabΔtetV,in contrast to the 64-fold increase for SPC. Even a minor shortening of the linkage by a single carbon, akin to 1st generation AmSPC 1950, results in a substantial increase in MICs and a 16-fold rise in susceptibility againstMabΔtetV. These shifts suggest that longer linkages might modify the kinetics of drug expulsion by TetV, ultimately shifting the equilibrium towards heightened intracellular concentrations and enhanced antimicrobial efficacy. Furthermore, lead eAmSPCs were also shown to synergize with various classes of anti-Mabantibiotics and retain activity against clinical isolates and other mycobacterial strains. Encouraging pharmacokinetic profiles coupled with robust efficacy inMabmurine infection models suggest that eAmSPCs hold the potential to be developed into treatments forMaband other NTM infections.
Cleaving idioms with right-node-raising
Authors: Kim Jeong-Seok , Jung Duk-Ho , Lee Jin Hyung
Published: January 2024

This paper examines right-node-raising (RNR) with idiom chunks. RNR sentences allow idiomatic interpretation when
they contain the whole idiom chunk within the pivot (i.e., the shared element) (e.g., Jessica believed, but Zac doubted, that
Justin popped the question.), but those containing only a part of the idiom within the pivot do not (e.g., #John
kicked, and Mary filled, the bucket.). Given this, Woo
(2015) argues for a multidominance approach (cf. Wilder 1999) to RNR in that
the multiply dominated pivot must not be partially shared for idiomatic interpretation. However, we report that even if the pivot
contains the whole idiom part, the issue of missing idiomatic interpretation in RNR still lingers (e.g., #We played a party game,
and they used an ice hammer, to break the ice.). In order to deal with this problem, multidominance, movement, or
PF deletion analyses must resort to an extra interpretive parallelism according to which a pivot cannot be used in two different
senses simultaneously. From this perspective, we argue that an LF copying approach can explain the idiomaticity in RNR without
extra proviso since under this analysis, it is not necessary to postulate a separate LF constraint of interpretive symmetry. We
extend our analysis to Korean (and Japanese) data pertaining to RNR with idiomatic or polysemous expressions. We thus conclude
that lexical mismatches and interpretive mismatches in English and Korean RNR are solid evidence of interpretive identity in
RNR.
Sino-Tibetan *w in Tibetan and Old Chinese
Authors: Schuessler Axel
Published: January 2024

From the perspective ofBaxter’s (1992)Old Chinese (OC, which is generally followed bySchuessler 2009), the fate of a putative Sino-Tibetan (ST) *win Tibetan and Old Chinese is quite straight-forward: In Tibetan *wwas deleted everywhere in all environments; in word-initial position loss of *w‑ resulted in (smooth) vocalic onset, it is argued here that this feature is represented by the letter’a-chung, e.g.’oŋ‘come’ from *waŋ; some such words have developed a new, or alternative,y-initial (e.g.yoŋbeside’oŋ). Vocalic onset (with’a-chung) is also the outcome of loss of other initial consonants (e.g. suffix’ufrombu). In Old Chinese *wsurvived only as part of labiovelars, in absolute word initial position (later Middle Chinese initial jwi̯-), and in configurations *hw‑ (voiceless *w), *ʔw‑ and *sw‑ (s-prefix). Drawn into the discussions are side-issues, like the elimination of *ɦ‑ from the Old Chinese phonemic inventory; OC final *-rmetathesis, monophthongization in closed syllables, ST labiovelars, as well as a number of new etymologies. This paper confirms by and large the conclusions ofHandel (2009)andJacques (2013), but with some adjustments and elaborations.
Causative alternation in Zuo Tradition
Authors: Wuyun Saina
Published: January 2024

This study examines the different variants of causative alternation in Zuo Tradition (左傳), an archaic Chinese narrative history from the Pre-Qin period. It is found that denominal verbs, unergative verbs, and “pure” unaccusative verbs participate actively in the alternation, and that the causative variant bears a complex relation with the agentive and putative variants; this causes problems for previous analyses. This paper proposes a two-step build-up of eventuality for causative alternation in archaic Chinese. Specifically, I propose that verbs in archaic Chinese are monadic and select only one argument. The merger of the verb with this argument is the realization of its eventuality conceptualized in the Lexicon; any further merger is determined by the eventuality composed by different light verbs in syntax. The uninitiated light verb is a placeholder with an empty argument. A specific light verb value is determined by the eventuality that is sent to the syntactic structure. Thus, the difference between all variants in causative alternation witnessed in Zuo Tradition lies in the different eventualities which they introduce into the syntactic configuration.
Profiling Electronic and Phononic Band Structures of Semiconductors at Finite Temperatures: Methods and Applications
Authors: Zhang 张 Xie 燮 , Kang 康 Jun 俊 , Wei 魏 Su-Huai 苏淮
Published: January 2024

Semiconductor devices are often operated at elevated temperatures that are well above zero Kelvin, which is the temperature in most first-principles density functional calculations. Computational approaches to computing and understanding the properties of semiconductors at finite temperatures are thus in critical demand. In this review, we discuss the recent progress in computationally assessing the electronic and phononic band structures of semiconductors at finite temperatures. As an emerging semiconductor with particularly strong temperature-induced renormalization of the electronic and phononic band structures, halide perovskites are used as a representative example to demonstrate how computational advances may help to understand the band structures at elevated temperatures. Finally, we briefly illustrate the remaining computational challenges and outlook promising research directions that may help to guide future research in this field.
More than one way to skin a dose volume: the impact of dose-surface map calculation approach on study reproducibility
Authors: Patrick Haley M , Kildea John
Published: January 2024

Objective. Dose-surface maps (DSMs) provide spatial representations of the radiation dose to organ surfaces during radiotherapy and are a valuable tool for identifying dose deposition patterns that are predictive of radiation toxicities. Over the years, many different DSM calculation approaches have been introduced and used in dose-outcome studies. However, little consideration has been given to how these calculation approaches may be impacting the reproducibility of studies in the field. Therefore, we conducted an investigation to determine the level of equivalence of DSMs calculated with different approaches and their subsequent impact on study results. Approach. Rectum and bladder DSMs were calculated for 20 prostate radiotherapy patients using combinations of the most common slice orientation and spacing styles in the literature. Equivalence of differently calculated DSMs was evaluated using pixel-wise comparisons and DSM features (rectum only). Finally, mock cohort comparison studies were conducted with DSMs calculated using each approach to determine the level of dosimetric study reproducibility between calculation approaches. Main results. We found that rectum DSMs calculated using the planar and non-coplanar orientation styles were non-equivalent in the posterior rectal region and that equivalence of DSMs calculated with different slice spacing styles was conditional on the choice of inter-slice distance used. DSM features were highly sensitive to choice of slice orientation style and DSM sampling resolution. Finally, while general result trends were consistent between the comparison studies performed using different DSMs, statisitically significant subregions and features could vary greatly in position and magnitude. Significance. We have determined that DSMs calculated with different calculation approaches are frequently non-equivalent and can lead to differing conclusions between studies performed using the same dataset. We recommend that the DSM research community work to establish consensus calculation approaches to ensure reproducibility within the field.
Combination of time domain-system matrix and x-space methods to reconstruct magnetic particle images with isotropic resolution
Authors: Shan Shihao , Zhang Chenglong , Yin Lin , Yang Xiaoli , Yu Dexin , Qi Yafei , Li Min , Wildgruber Moritz , Du Yang , Tian Jie , Ma Xiaopeng
Published: January 2024

Objective. Imaging of superparamagnetic iron oxide nanoparticles based on their non-linear response to alternating magnetic fields shows promise for imaging cells and vasculature in healthy and diseased tissue. Such imaging can be achieved through x-space reconstruction typically along a unidirectional Cartesian trajectory, which rapidly convolutes the particle distribution with a ‘anisotropic blurring’ point spread function (PSF), leading to images with anisotropic resolution. Approach. Here we propose combining the time domine-system matrix and x-space reconstruction methods into a forward model, where the output of the forward model is the PSF-blurred x-space reconstructed image. We then treat the blur as an inverse problem solved by Kaczmarz iteration. Main results. After we have proposed the method optimization, the normal resolution of simulation and device images has been increased from 3.5 mm and 5.25 mm to 1.5 mm and 3.25 mm, which has reached the level in the tangential resolution. Quantitative indicators of image quality such as PSNR and SSIM have also been greatly improved. Significance. Simulation and imaging of real phantoms indicate that our approach provides better isotropic resolution and image quality than the x-space method alone or other methods for removing PSF blur. Using our proposed method to optimize the image quality of x-space reconstructed images using unidirectional Cartesian trajectories, it will promote the clinical application of MPI in the future.
Resolving inter-crystal scatter in a light-sharing depth-encoding PET detector
Authors: Petersen Eric , LaBella Andy , Li Yixin , Wang Zipai , Goldan Amir H
Published: January 2024

Objective. Inter-crystal scattering (ICS) in light-sharing positron emission tomography (PET) detectors leads to ambiguity in positioning the initial interaction, which significantly degrades the contrast, quantitative accuracy, and spatial resolution of the resulting image. Here, we attempt to resolve the positioning ambiguity of ICS in a light-sharing depth-encoding detector by exploiting the confined, deterministic light-sharing enabled by the segmented light guide unique to Prism-PET. Approach. We first considered a test case of ICS between two adjacent crystals using an analytical and a neural network approach. The analytical approach used a Bayesian estimation framework constructed from a scatter absorption model—the prior—and a detector response model—the likelihood. A simple neural network was generated for the same scenario, to provide mutual validation for the findings. Finally, we generalized the solution to three-dimensional event positioning that handles all events in the photopeak using a convolutional neural network with unique architecture that separately predicts the identity and depth-of-interaction (DOI) of the crystal containing the first interaction. Main results. The analytical Bayesian method generated an estimation error of 20.5 keV in energy and 3.1 mm in DOI. Further analysis showed that the detector response model was sufficiently robust to achieve adequate performance via maximum likelihood estimation (MLE), without prior information. We then found convergent results using a simple neural network. In the generalized solution using a convolutional neural network, we found crystal identification accuracy of 83% and DOI estimation error of 3.0 mm across all events. Applying this positioning algorithm to simulated data, we demonstrated significant improvements in image quality over the baseline, centroid-based positioning approach, attaining 38.9% improvement in intrinsic spatial resolution and enhanced clarity in hot spots of diameters 0.8 to 2.5 mm. Significance. The accuracy of our findings exceeds those of previous reports in the literature. The Prism-PET light guide, mediating confined and deterministic light-sharing, plays a key role in ICS recovery, as its mathematical embodiment—the detector response model—was the essential driver of accuracy in our results.
Q-deformed rainbows: a universal simulator of free entanglement spectra
Authors: Byles Lucy , Sierra Germán , Pachos Jiannis K
Published: January 2024

The behavior of correlations across a bipartition is an indispensable tool in diagnosing quantum phases of matter. Here we present a spin chain with position-dependent XX couplings and magnetic fields, that can reproduce arbitrary structure of free fermion correlations across a bipartition. In particular, by choosing appropriately the strength of the magnetic fields we can obtain any single particle energies of the entanglement spectrum with high fidelity. The resulting ground state can be elegantly formulated in terms of q-deformed singlets. To demonstrate the versatility of our method we consider certain examples, such as a system with homogeneous correlations and a system with correlations that follow a prime number decomposition. Hence, our entanglement simulator can be easily employed for the generation of arbitrary entanglement spectra with possible applications in quantum technologies and condensed matter physics.
Grassmann time-evolving matrix product operators for equilibrium quantum impurity problems
Authors: Chen Ruofan , Xu Xiansong , Guo Chu
Published: January 2024

Tensor-network-based methods are promising candidates to solve quantum impurity problems (QIP). They are free of sampling noises and the sign problem compared to state-of-the-art continuous-time quantum Monte Carlo methods. Recent progress made in tensor-network-based impurity solvers is to use the Feynman–Vernon influence functional to integrate out the bath analytically, retaining only the impurity dynamics and representing it compactly as a matrix product state. The recently proposed Grassmann time-evolving matrix product operator (GTEMPO) method is one of the representative methods in this direction. In this work, we systematically study the performance of GTEMPO in solving equilibrium QIPs at a finite temperature with a semicircular spectrum density of the bath. Our results show that its computational cost would generally increase as the temperature goes down and scale exponentially with the number of orbitals. In particular, the single-orbital Anderson impurity model can be efficiently solved with this method, for two orbitals we estimate that one could possibly reach inverse temperature β ≈ 20 if high-performance computing techniques are utilized, while beyond that only very high-temperature regimes can be reached in the current formalism. Our work paves the way to apply GTEMPO as an imaginary-time impurity solver.
Quantum transport on the surfaces of topological nodal-line semimetals
Authors: Fu Jun-Jie , Guan Shu-Tong , Xie Jiao , An Jin
Published: January 2024

Topological nodal-line semimetals are always characterized by the drumhead surface states at the open boundaries. In this paper we first derive an analytical expression for the surface Green’s function of a nodal-line semimetal. By making use of this result, we explore the charge and spin transport properties of a metallic chain on the surface of a nodal-line semimetal, as functions of the gate voltage applied on the top of the material. According to the size of the nodal loop, due to the coupling to the surface modes, the charge conductance in the chain is found to show a robust plateau at

e

2

/

h

, or to exhibit multiple valleys at

e

2

/

h

. Correspondingly, the spin polarization of the transmitted current is

100
%

at the plateau region, or exhibits multiple peaks at nearly

100
%

. This feature can be viewed as a transport signature of the topological nodal-line semimetals.
Inverse engineering for robust state transport along a spin chain via low-energy subspaces
Authors: Ji Yunlan , Wu Ze , Liu Ran , Li Yuchen , Jin Fangzhou , Zhou Hui , Peng Xinhua
Published: January 2024

Quantum state transfer (QST) plays a central role in the field of quantum computation and communication, but its quality will be deteriorated by the ubiquitous variations and noise in quantum systems. Here we propose robust and nonadiabatic protocols for transmitting quantum state across a strongly coupled spin chain, especially in the presence of unwanted disorders in the couplings. To this end, we approximately map the low-energy subspaces of the odd-size Heisenberg chain to a two-level system, and derive the sensitivity of the final fidelity with respect to systematic deviations or time-varying fluctuations. Subsequently, leveraging the flexibility of the inverse-engineering technique, we optimize the state-transfer robustness concerning these perturbations individually. The resulting schemes allow for more stable QST than the original accelerated schemes and only require manipulating the two boundary couplings instead of the whole system, which open up the possibility of fast and robust information transfer in spin-based quantum systems.
Quantifying the intrinsic randomness in sequential measurements
Authors: Liu Xinjian , Wang Yukun , Han Yunguang , Wu Xia
Published: January 2024

In the standard Bell scenario, when making a local projective measurement on each system component, the amount of randomness generated is restricted. However, this limitation can be surpassed through the implementation of sequential measurements. Nonetheless, a rigorous definition of random numbers in the context of sequential measurements is yet to be established, except for the lower quantification in device-independent scenarios. In this paper, we define quantum intrinsic randomness in sequential measurements and quantify the randomness in the Collins–Gisin–Linden–Massar–Popescu inequality sequential scenario. Initially, we investigate the quantum intrinsic randomness of the mixed states under sequential projective measurements and the intrinsic randomness of the sequential positive-operator-valued measure (POVM) under pure states. Naturally, we rigorously define quantum intrinsic randomness under sequential POVM for arbitrary quantum states. Furthermore, we apply our method to one-Alice and two-Bobs sequential measurement scenarios, and quantify the quantum intrinsic randomness of the maximally entangled state and maximally violated state by giving an extremal decomposition. Finally, using the sequential Navascues–Pironio–Acin hierarchy in the device-independent scenario, we derive lower bounds on the quantum intrinsic randomness of the maximally entangled state and maximally violated state.
High-k dielectric based high performance vertical organic thin film transistor for flexible low power applications
Authors: Yadav Sugandha , Mittal Poornima , Negi Shubham
Published: January 2024

The basic performance parameters such as threshold voltage, drain current and saturation mobility play an important role for any transistor-based devices. The planar organic TFT provides a good performance but it is still not satisfactory. Therefore, in this paper, a vertical channel TFT (D5) is proposed that exhibits a significant improvement for threshold voltage V

t
, drain current I

Dmax
and saturation mobility μ

sat
in comparison to planar devices. The proposed vertical device (D5) is 44 and 24 times enhanced in comparison with planar device D1 in terms of I

Dmax
and μ

sat
, correspondingly. Furthermore, this paper compares five different vertical-channel device architectures (D2, D3, D4, D5, D6 & D7). Out of these structures, our proposed novel structure (D5) shows remarkable performance in terms of drain current (528 μA) and saturation mobility (80.8 cm2/V.s). As compared to the best mentioned vertical devices D2, D3 and D7, the proposed device exhibits 41.8 %, 15.6 % and 27.8 %, increment in drain current, respectively. Additionally, the proposed device exhibits about 2.7, 5.2 and 3.5 times improvement in comparison with D2, D3 and D7 correspondingly. The reasons for this better performance of the proposed device have been explained by vertical and horizontal cutline analysis.
In-plane compression behavior of meta-tetrachiral and common auxetic structures
Authors: Zhuang Zhidong , Zhu Linwei
Published: January 2024

Meta-tetrachiral structure, as a novel negative Poisson’s ratio auxetic materials, combines the topological features of tetrachiral and anti-tetrachiral structures. Under the in-plane compression, a comparative study on the mechanical properties of the meta-tetrachiral and the common tetrachiral and anti-tetrachiral structures is investigated experimentally and numerically. Three types of specimens are fabricated by using Stereo Lithography Apparatus (SLA) technology; numerical models are established by using FEA software and verified by quasi-static compression tests. The simulated and experimental results together indicate that the in-plane deformation patterns of the meta-tetrachiral are limited by the different loading directions. The deformation mechanism of the meta-tetrachiral loaded along different directions is summarized by the deformation behavior of the specimens. The Young’s modulus of the meta-tetrachiral loaded along different directions is larger than that of the anti-tetrachiral structure. The auxetic properties (NPR) of the meta-tetrachiral structures loaded along different directions are superior to that of the tetrachiral structure. In addition, it is found that the meta-tetrachiral loaded along the Y-direction shows a better performance in terms of energy absorption compared to the other structures. The effect of the meta-tetrachiral structures with different wall thicknesses on energy absorption was investigated.
Supernova model discrimination with a kilotonne-scale Gd-H2O Cherenkov detector
Authors: Schnellbach Y. , Migenda J. , Carroll A. , Coleman J. , Kneale L. , Malek M. , Metelko C. , Tarrant A.
Published: January 2024

The supernova model discrimination capabilities of the WATCHMAN detector concept are explored. This cylindrical kilotonne-scale water Cherenkov detector design has been developed to detect reactor antineutrinos through inverse β-decay for non-proliferation applications but also has the ability to observe antineutrino bursts of core-collapse supernovae within our galaxy. Detector configurations with sizes ranging from 16 m to 22 m tank diameter and 10% to 20% PMT coverage are used to compare the expected observable antineutrino spectra based on the Nakazato, Vartanyan and Warren supernova models. These spectra are then compared to each other with a fixed event count of 100 observed inverse β-decay events and a benchmark supernova at 10 kpc distance from Earth. By comparing the expected spectra, each detector configuration's ability to distinguish is evaluated. This analysis then demonstrates that the detector design is capable of meaningful event discrimination (90+% accuracy) with 100 observed supernova antineutrino events in most configurations. Furthermore, a larger tank configuration can maintain this performance at 10 kpc distance and above, indicating that overall target mass is the main factor for such a detector's discrimination capabilities. Finally, it is estimated that the detector design can provide early warning capability for supernova bursts for the entire Milky Way in all configurations.
Corrigendum to “Atomic-scale electromagnetic theory bridging optics in microscopic world and macroscopic world”
Authors: Li 李 Zhi-Yuan 志远 , Chen 陈 Jianfeng 剑锋
Published: January 2024

The signs of the electric field markers in Figs. 2 and 4 of the paper [Chin. Phys. B 32 104211 (2023)] have been corrected. These modifications do not affect the results derived in the paper.
Predicting structure-dependent Hubbard U parameters via machine learning
Authors: Cai Guanghui , Cao Zhendong , Xie Fankai , Jia Huaxian , Liu Wei , Wang Yaxian , Liu Feng , Ren Xinguo , Meng Sheng , Liu Miao
Published: January 2024

DFT + U is a widely used treatment in the density functional theory (DFT) to deal with correlated materials that contain open-shell elements, whereby the quantitative and sometimes even qualitative failures of local and semi-local approximations can be corrected without much computational overhead. However, finding appropriate U parameters for a given system and structure is non-trivial and computationally intensive, because the U value has generally a strong chemical and structural dependence. In this work, we address this issue by building a machine learning (ML) model that enables the prediction of material- and structure-specific U values at nearly no computational cost. Using Mn–O system as an example, the ML model is trained by calibrating DFT + U electronic structures with the hybrid functional results of more than 3000 structures. The model allows us to determine an accurate U value (MAE = 0.128 eV, R
2 = 0.97) for any given Mn–O structure. Further analysis reveals that M–O bond lengths are key local structural properties in determining the U value. This approach of the ML U model is universally applicable, to significantly expand and solidify the use of the DFT + U method.
Atopic dermatitis and autism: tactile hypersensitivity impeding topical therapy use
Authors: Yoo Li Jie Helena , Stefanovic Nicholas , Watchorn Richard E
Published: January 2024

This carer perspective article offers a unique insight into the lived experience of atopic dermatitis management in the setting of codiagnosed autism spectrum disorder (ASD). It delves into the profound effects of sensory reactivity in the setting of ASD, which poised a unique therapeutic challenge to management of this inflammatory skin disease. This article highlights the importance of an individualized approach and early initiation of systemic treatment when managing individuals with neuropsychiatric comorbidities.