bluuebunny/crossref_metadata_2025_split huggingface dataset:
Palladium-Catalyzed α-Arylation of Cycloalkanones with Sterically Hindered Bromoazines under Neat Conditions
Authors: Fett Niels Thomas , Muratore Michael E. , Gmaschitz Gerhard , Treu Matthias 
Published: October 2024

AbstractThe palladium-catalyzed cross-coupling of cycloalkanones with a range of heteroaryl bromides is described herein. The transformation proceeds best with third-generation tris-tBu-phosphine Pd pre-catalyst in neat cycloalkanones. Careful screening of the reaction conditions revealed K3PO4 as an effective weak and mild base thereby tolerating base-sensitive functional groups such as acetals or nitrogen protecting groups. Moderate to good yields were achieved for a series of 29 examples with various degrees of structural complexity. Importantly, these optimized conditions allow the α-(hetero)aryl cross-coupling of ortho-substituted (hetero)aryl bromide substrates with different cyclo­alkanones that typically failed to react efficiently under previously reported conditions.
Comprehensive Management of Intracranial Aneurysms in Rare and Variant Arterial Locations: A Detailed Case Report
Authors: Solis Frank , Ecos Rosa , Walker Melanie 
Published: October 2024

AbstractAneurysms on variant arteries, especially involving the persistent trigeminal artery (PTA), azygos artery, and lenticulostriate arteries (LSAs), are rare. This report presents a case and subsequent management of a patient with multiple unruptured aneurysms arising from variant anatomical structures. A 48-year-old patient with a history of worsening headaches presented with three unruptured aneurysms at the PTA, azygos artery, and left LSA, confirmed via catheter angiography with three-dimensional reconstruction. Given the potential effects on conventional cerebrovascular structures, managing multiple aneurysms in rare and variant locations requires a tailored strategy. This case was successfully treated with an endovascular approach and a period of observation, emphasizing the need for individualized treatment planning.
The International and the Local Worker: Understanding Multi-layered Processes of Racialisation in International Development Organisations
Authors: Goodfellow Maya 
Published: October 2024

AbstractThis article seeks to examine how institutional hierarchies relate to processes of racialisation in development organisations that are multiracial. Complementing and building on existing literature focussed on race and development it shows how processes of racialisation help to produce and legitimate distinctions between local and international development professionals. It argues these divides cannot always be neatly mapped onto phenotype but are related to processes of racialisation tied to knowledge and class and this, in turn, helps to produce inequalities—power imbalances, pay differences and differential access to organisational benefits—between development workers. Therefore, while forms of racism and their material impacts shape the experiences of international staff of colour, there is another layer of racialisation at play that cannot be explained through existing racial categories but that draws on colonial ideas of epistemic superiority to create specific forms of racialisation within development organisations.
Duple Cacao-Chocolate and the Materiality of the Political Economy of Pleasure
Authors: Lucumi-Mosquera Lina , Ugueto-Ponce Meyby , Felicien Ana , Ruette-Orihuela Krisna 
Published: October 2024

AbstractThis article expands on Walter Rodney’s call to explore possibilities for redevelopment of the African diaspora due to its underdevelopment. Drawing on four experiences of rural everyday resistance in Colombia, Brazil, and Venezuela, it analyses fine-flavour cocoa (Theobroma cacao l.) ecologies, subjectivities, and economics in relation to craft chocolate production, commercialisation, and consumption. Our evidence suggests that farmers’ liberation projects occur beyond the ambivalence between oppression and emancipation. It is argued that emancipations are rather shaped by complex non-binary power dynamics with multiple tensions that resist the materiality of a racialised administration of pleasure and pain.
Evaluation of the permeability of ultrathin parylene AF4 films to determine minimum closed thickness for nanoscale packaging
Authors: Chung Chien-Hao , Wu Hsiang-Yu , Kuo Wen-Cheng 
Published: October 2024

This study investigated the permeability of parylene AF4 films of varying thickness to determine the minimum closed thickness for nanoscale packaging coatings. In particular, films with thicknesses of 15, 20, and 25 nm were deposited using 1 g of dimer and by adjusting the coating machine’s chamber height. Closeness analysis and electrochemical impedance spectroscopy (EIS) were employed to determine the minimum closed thickness. The closeness analysis results revealed a resistance of 1.35 MΩ (below the 20 MΩ threshold) for the 15 nm film, indicating a nonclosed film; conversely, the 20 and 25 nm films exhibited resistance values of 66.1 and 111.7 MΩ (above the threshold), respectively, indicating closed films. The EIS results indicated that the failure soaking times of the 15, 20, and 25 nm films were approximately &lt;10, 20, and 50 min, respectively. These results indicate that the 20 nm film exhibited the lowest minimum closed thickness and was effective for waterproofing. These findings contribute valuable data toward developing nanoscale waterproof coatings for packaging applications.
Electron-impact ionization of water molecules at low impact energies
Authors: Tamin A. , Houamer S. , Khatir T. , Ancarani L. U. , Dal Cappello C. 
Published: October 2024

The electron-impact ionization of water molecules at low impact energies is investigated using a theoretical approach named M3CWZ. In this model, which considers exchange effects and post-collision interaction, the continuum electrons (incident, scattered, and ejected) are all described by a Coulomb wave that corresponds to distance-dependent charges generated from the molecular target properties. Triple differential cross-sections for low impact energy ionization of either the 1b1 or 3a1 orbitals are calculated for several geometrical and kinematical configurations, all in the dipole regime. The M3CWZ model is thoroughly tested with an extensive comparison with available theoretical results and COLTRIMS measurements performed at projectile energies of Ei = 81 eV [Ren et al., Phys. Rev. A 95, 022701 (2017)] and Ei = 65 eV [Zhou et al., Phys. Rev. A 104, 012817 (2021)]. Similar to other theoretical models, an overall good agreement with both sets of measured data is observed for the angular distributions. Our calculated cross-sections’ magnitudes are also satisfactory when compared to the other theoretical results, as well as to the cross-normalized relative scale data at 81 eV impact energy. The 65 eV set of data, measured on an absolute scale, offers a further challenging task for theoretical descriptions, and globally the M3CWZ performs fairly well and comparably to other theories. The proposed approach with variable charges somehow allows to capture the main multicenter distortion effects while avoiding high computational costs.
Dynamics of hydride anion and acetyloxyl radical production by electron attachment to acetic acid
Authors: Hasan M. , Weber Th. , Centurion M. , Slaughter D. S. 
Published: October 2024

We investigate the dynamics and site-selectivity in the dissociation of transient anions formed upon attachment of low energy electrons to acetic acid by anion fragment momentum imaging experiments. The resonances at 6.7 and 7.7 eV are confirmed to dissociate exclusively by the O–H bond, while a third resonance at 9.1 eV dissociates primarily by both C–H break and O–H break. A fourth resonance near 10 eV is found to dissociate by O–H break. For each resonance, the measured kinetic energy release indicates two-body dissociation produces a neutral radical in the ground electronic state, for all four resonances. The measured angular distributions are consistent with all four resonances having A′ symmetry.
Chemical information from XPS: Theory and experiment for Ni(OH)2
Authors: Bagus Paul S. , Nelin Connie J. , Mergelsberg Sebastian T. , Lahiri Nabajit , Ilton Eugene S. 
Published: October 2024

The features and the electronic character of the states for the Ni 2p x-ray photoelectron spectroscopy (XPS) of Ni(OH)2 were analyzed. This detailed analysis is based on ab initio molecular orbital wavefunctions for a cluster model of Ni(OH)2. The theory is validated by comparison with experiment. Then, advanced methods are used to explain and contrast the properties of different groups of ionic states. An important conclusion is that in most cases, the ionic states cannot be described with a single configuration or determinant. Despite this essential many-body character of the XPS, we demonstrate that it is possible to understand the origin of the main and satellite XPS features in terms of their orbital character.
An optimal transport approach for 3D electrical impedance tomography
Authors: Bao Gang , Zhang Yixuan 
Published: October 2024

Abstract
This work solves the three-dimensional inverse boundary value problem with the quadratic Wasserstein distance (W
2), which originates from the optimal transportation (OT) theory. The computation of the W
2 distance on the manifold surface is boiled down to solving the generalized Monge–Ampère equation, whose solution is directly related to the gradient of the W
2 distance. An efficient first-order method based on iteratively solving Poisson’s equation is introduced to solve the fully nonlinear elliptic equation. Combining with the adjoint-state technique, the optimization framework based on the W
2 distance is developed to solve the three-dimensional electrical impedance tomography problem. The proposed method is especially suitable for severely ill-posed and highly nonlinear inverse problems. Numerical experiments demonstrate that our method improves the stability and outperforms the traditional regularization methods.
Analytical expression for continuum–continuum transition amplitude of hydrogen-like atoms with angular-momentum dependence
Authors: Ji J B , Ueda K , Han M , Wörner H J 
Published: October 2024

Abstract
Attosecond chronoscopy typically utilises interfering two-photon transitions to access the phase information. Simulating these two-photon transitions is challenging due to the continuum–continuum transition term. The hydrogenic approximation within second-order perturbation theory has been widely used due to the existence of analytical expressions of the wave functions. So far, only (partially) asymptotic results have been derived, which fail to correctly describe the low-kinetic-energy behaviour, especially for high angular-momentum states. Here, we report an analytical expression that overcomes these limitations. It is based on the Appell’s F
1 function and uses the confluent hypergeometric function of the second kind as the intermediate state. We show that the derived formula quantitatively agrees with the numerical simulations using the time-dependent Schrödinger equation for various angular-momentum states, which improves the accuracy compared to the other analytical approaches that were previously reported. Furthermore, we give an angular-momentum-dependent asymptotic form of the outgoing wavefunction and the corresponding continuum–continuum dipole transition amplitudes.
Quantum effect in a hybrid bose-einstein condensate opto-magnomechanical system
Authors: Imara Ziyad , El Anouz Khadija , Saif Farhan , El Allati Abderrahim 
Published: October 2024

Abstract
We present a hybrid opto-magno-mechanical cavity system consisting of an optical cavity that creates an opto-mechanical cavity with a fixed mirror, a magnon mode in a ferrimagnetic crystal linked to the movable mirror and an intracavity Bose–Einstein condensate. The mechanical displacement is coupled to the magnon by the magnetostriction force and to the optical cavity by the radiation pressure, and the latter is also weakly coupled to a Bose–Einstein condensate. We provide a strategy to measure and quantify entanglement using logarithmic negativity. In addition, we study the quantum or EPR steering in order to present the stationary quantum steering. We consider that all composite modes in our model are given in a Gaussian state described by a covariance matrix. In these studies, we focus on the interaction between the Bose–Einstein condensate and the magnonic modes in a ferrimagnetic crystal. It is important to note that we use experimentally controllable realizable parameters to observe the interaction of modes at temperatures in the microkelvin range.
XFEL SASE pulses can enhance time-dependent observables
Authors: Liane Eirik M , Simmermacher Mats , Weber Peter M , Kirrander Adam 
Published: October 2024

Abstract
X-ray free electron lasers (XFELs) have emerged as powerful sources of short and intense x-ray pulses. We propose a simple and robust procedure which takes advantage of the inherent stochasticity of self-amplified stimulated emission (SASE) pulses to enhance the time-resolution and signal strength of the recorded data. Notably, the proposed method is able to enhance the average signal without knowledge of the signal strength of individual shots. Simple metrics for the probe pulses are introduced, such as an effective pulse duration applicable to SASE pulses characterised in the time domain using e.g. an X-band transverse cavity. The approach is evaluated using simulated and real pulse data in the context of ultrafast electron dynamics in a molecule. Utilising H2 as a model system, we demonstrate the efficacy of the method theoretically, successfully enhancing the predicted nonresonant ultrafast x-ray scattering signal associated with electron dynamics. The method presented is broadly applicable and offers a general strategy for enhancing time-dependent observables at XFELs.
Broadband spectral analysis of chiral nanophotonic structures at circularly polarized incidence using DGTD solver
Authors: Bao Huaguang , Peng Yan , Li Chunyu , Zhang Tiancheng , Ding Dazhi , Werner Douglas H 
Published: October 2024

Abstract
A transient circularly polarized excitation and its implementation in a generalized dispersive material model based discontinuous Galerkin time-domain solver are proposed for spectral analysis of chiral nanophotonic structures. The expression of a circularly polarized pulse with a certain bandwidth, which is real-valued and enables multi-physics and nonlinearity, is derived comprehensively. Numerical examples of nanophotonic structures are given in this paper. Such as reflection from metallic mirrors, transmission from S-shaped dielectric metasurfaces, and the spin response of C4 symmetrically arranged right-handed enantiomers. These examples demonstrate the accuracy and capability of the proposed method.
A position-based method for detecting orbital angular momentum modes
Authors: Zu Yue , Du Yongxing , Qin Ling , Li Minchao , Li Baoshan 
Published: October 2024

Abstract
Due to the inherent limitations of current orbital angular momentum (OAM) mode detection methods and constraints posed by the physical size of receiving antennas, accurately identifying higher-order OAM modes represents a significant challenge. Therefore, there is a pressing necessity to overcome these hurdles. This paper introduces a new approach to OAM mode detection that exploits positional information. Our methodology ascertains the OAM mode by examining the phase and position data of the electric field at any two randomly chosen points within the energy’s spatial distribution radiated by vortex electromagnetic waves. This innovation promises not only to precisely detect higher-order OAM modes but also grants greater versatility in the placement of receiving antennas. Moreover, the study delves into the correlation between the electric field phase of vortex electromagnetic waves, the azimuth angle, and the receiving distance. The validity of our approach is confirmed through both simulation outcomes and experimental data derived from physical tests.
Ultrafast thermal modulation dynamics during ripple formation induced by a femtosecond laser multi-pulse vortex beam
Authors: Du Guangqing , Ahmad Waqas , Yang Qing , Chen Feng 
Published: October 2024

Abstract
This work theoretically investigated the ultrafast thermal modulation dynamics during early formation of ripples on an Au film induced by femtosecond laser multi-pulse vortex beam irradiation. An extended two-temperature dynamics model that comprehensively considers optical interference modulation for the formation of seed ripples, transient reflectivity and non-equilibrium thermal transfer was self-consistently built to predict high-contrast ripple formation. The two-dimensional evolution of electron and phonon temperature modulations during ripple formation in a high non-equilibrium state of Au film were obtained via femtosecond laser multi-pulse vortex beam irradiation. It was revealed that ripple contrast can be significantly amplified by shortening the laser wavelength, increasing the pulse number, or enlarging the laser fluence of the vortex beam. Moreover, the electron–phonon coupling time during ripple formation is fully explored in detail. This study provides valuable insights into optimizing laser parameters for controlled high-contrast ripple formation on Au films.
Reconstruction of flame permittivity distribution based on ECT and Lp regularized D-bar method
Authors: Wang Chao , Jin Shuo , Guo Qi , Zhang Kexin 
Published: October 2024

Abstract
The measurement of flame permittivity is significant in obtaining the combustion state. A method of Lp
regularized D-bar is proposed in this article, which is used to reconstruct flame permittivity distribution by electrical capacitance tomography (ECT). Firstly, the distribution characteristic of flame permittivity is analyzed using the electric probe method. The simulation model of ECT flame measurement is set up based on the result of flame permittivity distribution. Then, the relationship model between the truncation radius of the D-bar algorithm and noise level is fitted based on the simulation reconstruction results of flame permittivity. The truncation radius of the D-bar algorithm for flame permittivity reconstruction is obtained by the relationship model. The Lp
regularization is introduced into the scattering transformation solving of the D-bar algorithm, and the simulation results of flame permittivity reconstruction under different p-values are compared. In the experiment, the reconstruction of flame permittivity by the D-bar algorithm with different truncation radii is compared. The experimental results verify the truncation radius strategy based on noise level. Moreover, compared with L
1 and L
2 regularization methods, Lp
regularization combined with the D-bar algorithm is more accurate in the experiment results of flame permittivity reconstruction.
Bayesian optimization of 7-component (AlVCrFeCoNiMo) single crystal alloy’s compositional space to optimize elasto-plastic properties from molecular dynamics simulations
Authors: Kurunczi-Papp David , Laurson Lasse 
Published: October 2024

Abstract
Exploring the vast compositional space of high-entropy alloys (HEAs) promises materials with superior mechanical properties much needed in industrial applications. We demonstrate on the 7-component alloy AlVCrFeCoNiMo system with randomly ordered atoms that this exploration of the compositional space can be accelerated by combining molecular dynamics simulations with Bayesian optimization. Our algorithm is tested on maximizing the shear modulus, resulting in pure Mo, an unsurprising result based on Mo’s large density. Maximizing the yield stress results in Co-, Cr- and Ni-based alloys with the optimal composition varying depending on the presence of defects within the crystal. Finally, we optimize the plastic behaviour by aiming for high stresses while minimizing the deformation fluctuations, and find that a predominantly NiMo alloy’s high lattice distortions ensure a smooth stress response. The results suggest that mechanical properties of 2- to 4-component alloys with optimized composition may be superior to those of equiatomic HEAs without short-range order.
Which shapes can appear in a curve shortening flow singularity?*
Authors: Angenent Sigurd B , Davis Evan Patrick , DeCleene Ellie , Ellingson Paige , Feng Ziheng , Gevorgyan Edgar , Lemmenes Aris , Moon Alex , Tommasi Tyler Joseph , Zhou Yamin 
Published: October 2024

Abstract
We study possible tangles that can occur in singularities of solutions to plane curve shortening flow. We exhibit solutions in which more complicated tangles with more than one self-intersection disappear into a singular point. It seems that there are many examples of this kind and that a complete classification presents a problem similar to the problem of classifying all knots in

R

3

. As a particular example, we introduce the so-called n-loop curves, which generalize Matt Grayson’s figure-eight curve, and we conjecture a generalization of the Coiculescu–Schwartz asymptotic bow-tie result, namely, a vanishing n-loop, when re-scaled anisotropically to fit a square bounding box, converges to a ‘squeezed bow-tie,’ i.e. the curve

{
(
x
,
y
)
:

|

x

|

⩽
1
,
y
=
±

x

n
−
1

}
∪
{
(
±
1
,
y
)
:

|

y

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}

. As evidence in support of the conjecture, we provide a formal asymptotic analysis on one hand, and a numerical simulation for the cases n = 3 and n = 4 on the other.
Force-extension and longitudinal response of wormlike chains with single cross-link
Authors: Cui Mingyuan , Zhou Jianping , Li Kai , Xu Yan 
Published: October 2024

Abstract
Certain important biopolymers, such as actin filaments, are known to have cross-links at their interfaces, which significantly influence their mechanical properties. To explore these effects, the force-extension and longitudinal response of wormlike chains (WLCs) with a single cross-link under tension in two-dimension are examined using both analytical methods and Brownian dynamics simulations. The cross-link is modeled as a spring in the analytical method, and mode analysis is used to calculate the path integrals associated with the partition function. These theoretical results are then validated through Brownian dynamics simulations. Final results indicate that the simulation results are consistent with the theoretical predictions, particularly for situations involving large tensile force and short chain, which are prerequisites for the application of the weak bending approximation.
Analysis of degradation mechanism in polycrystalline silicon thin-film transistors under dynamic off-state stress with fast transition time
Authors: Wang Yunyang , Jiang Zhendong , Zou Lanrong , Zhang Meng 
Published: October 2024

Abstract
This study represents the investigation into the degradation of polycrystalline silicon (poly-Si) thin-film transistors (TFTs) under dynamic off-state stress, with a focus on transition times as rapid as 1 nanosecond (ns). The study found that dynamic off-state stress with larger amplitude leads to more severe device degradation. Unlike previous studies, both the rising time (t

r
) and falling time (t

f
) of the pulse significantly influence the hot carrier (HC) degradation in the poly-Si TFTs. The on-state current degradation rate (ΔI

on
) after 104 s stress dramatically increases from 11.8% to 80.8% when t

r
decreases from 500 ns to 1 ns. When t

f
decreases from 500 ns to 1 ns, ΔI

on
also dramatically increases from 22.9% to 69.2%. Combined with transient simulations, the source of the carrier for HC degradation is clarified and consequently, a non-equilibrium PN junction degradation model modulated by accumulated electrons is developed.