State Distribution Research Articles

Fractional-order hybridly polarized vector beams: generation, focusing, propagation, and spatial self-phase modulation

As a class of integer-order vector beams, hybridly polarized vector beams (HPVBs) are widely used in focus shaping, femtosecond laser filamentation, linear and nonlinear polarization evolution, etc. Recently, fractional-order vector beams have gained widespread interest due to their more control parameters, rich photophysical properties, and novel nonlinear optical phenomena. In this work, we report the experimental generation, focusing and propagation characteristics, and spatial self-phase modulation (SSPM) phenomenon of fractional-order HPVBs. It is shown that during the focusing and propagation processes, the intensity pattern of fractional-order HPVBs develops from a near-Gaussian structure in the incident plane to an asymmetric structure in both the focal field and the far field. Meanwhile, their distributions of state of polarization (SoP) also evolve, although it remains a hybrid polarization distribution overall. When the focused fractional-order HPVBs pass through the nonlinear optical sample, the far-field self-diffraction intensity pattern displays an irregular concentric multi-ring structure with a hybrid polarization distribution. It is found that the nonlinear medium not only modulates the far-field intensity pattern of fractional-order HPVBs but also controls their SoP distribution. This symmetric breaking HPVB has potential application prospects in optical micro-manipulation, light-matter interaction, optical spin-orbit conversion, etc.

Dynamic evolution of high-speed railway driver fatigue across scheduling shifts – a simulator study in China

ABSTRACT Scheduling significantly contributes to fatigue among high-speed rail (HSR) drivers, impacting both driving performance and safety. This study aims to analyse distinctiveness and evolutionary patterns of driver fatigue across different scheduling shifts, leveraging an HSR simulator and wearable devices. Through an extensive statistical examination, differences in most heart rate variability features were identified across shifts. The evolution of self-reported fatigue and physiological fatigue was investigated using a Markov chain and a hidden Markov model (HMM) that is extended using softmax regression, respectively. Results indicated a similarity in the initial fatigue state distribution and evolution trends across shifts, albeit with varying degrees of fluctuation. Morning shifts exhibited a higher likelihood of fatigue accumulation. The study revealed that even adequate pre-rest did not entirely counterbalance the impact of circadian rhythms. These findings may contribute to comprehending the temporal dynamics of driver fatigue evolution and offer insights for optimizing driver scheduling practices.

Charging of DNA Complexes in Positive-Mode Native Electrospray Ionization Mass Spectrometry.

Native mass spectrometry (nMS) provides insights into the structures and dynamics of biomacromolecules in their native-like states by preserving noncovalent interactions through "soft" electrospray ionization (ESI). For native proteins, the number of charges that are acquired scales with the surface area and mass. Here, we explore the effect of highly negatively charged DNA on the ESI charge of protein complexes and find a reduction of the mass-to-charge ratio as well as a greater variation. The charge state distributions of pure DNA assemblies show a lower mass-to-charge ratio than proteins due to their greater density in the gas phase, whereas the charge of protein-DNA complexes can additionally be influenced by the distribution of the ESI charges, ion pairing events, and collapse of the DNA components. Our findings suggest that structural features of protein-DNA complexes can result in lower charge states than expected for proteins.

Notch induces transcription by stimulating release of paused RNA polymerase II.

Notch proteins undergo ligand-induced proteolysis to release a nuclear effector that influences a wide range of cellular processes by regulating transcription. Despite years of study, however, how Notch induces the transcription of its target genes remains unclear. Here, we comprehensively examine the response to human Notch1 across a time course of activation using high-resolution genomic assays of chromatin accessibility and nascent RNA production. Our data reveal that Notch induces target gene transcription primarily by releasing paused RNA polymerase II (RNAPII). Moreover, in contrast to prevailing models suggesting that Notch acts by promoting chromatin accessibility, we found that open chromatin was established at Notch-responsive regulatory elements prior to Notch signal induction through SWI/SNF-mediated remodeling. Together, these studies show that the nuclear response to Notch signaling is dictated by the pre-existing chromatin state and RNAPII distribution at the time of signal activation.

Fractional Brownian motion in confining potentials: non-equilibrium distribution tails and optimal fluctuations

Abstract At long times, a fractional Brownian particle in a confining external potential reaches a non-equilibrium (non-Boltzmann)
steady state. Here we consider scale-invariant power-law potentials $V(x)\sim |x|^m$, where $m>0$, and employ the optimal fluctuation method (OFM) to determine the large-$|x|$ tails of the steady-state probability distribution $\mathcal{P}(x)$ of the particle position. The calculations involve finding the optimal (that is, the most likely) path of the particle, which determines these tails, via a minimization of the exact action functional for this system, which has recently become available. Exploiting dynamical scale invariance of the model in conjunction with the OFM ansatz, we establish the large-$|x|$ tails of $\ln \mathcal{P}(x)$ up to a dimensionless factor $\alpha(H,m)$, where $0<H<1$ is the Hurst exponent. We determine $\alpha(H,m)$ analytically (i) in the limits of $H\to 0$ and $H\to 1$, and (ii) for $m=2$ and arbitrary $H$, corresponding to the fractional Ornstein-Uhlenbeck (fOU) process. Our results for the fOU process are in agreement with the previously known exact $\mathcal{P}(x)$ and autocovariance. The form of the tails of $\mathcal{P}(x)$ yields exact conditions, in terms of $H$ and $m$, for the particle confinement in the potential.
For $H\neq 1/2$, the tails encode the non-equilibrium character of the steady state distribution, and we observe violation of time reversibility of the system except for $m=2$. To compute the optimal paths and the factor $\alpha(H,m)$ for arbitrary permissible $H$ and $m$, one needs to solve an (in general nonlinear) integro-differential equation. To this end we develop a specialized numerical iteration algorithm which
accounts analytically for an intrinsic cusp singularity of the optimal paths for $H<1/2$.


Electronic and photocatalytic properties of Cu4 cluster-modified Ag/g-C3N4 single-atom catalysts: A hybrid DFT study

Increasing the active sites on the catalyst surface has been a key goal to increase the catalyst efficiency. This paper presents an efficient conversion of solar energy into chemical energy, realized by a Cu4 cluster-assisted single-atom catalyst (Ag-doped g-C3N4). The catalyst enhances charge transfer and light absorption, and the unique advantages of this approach in the field of photocatalysis are substantiated by density functional theory. Under the synergistic effect of Cu4 clusters, the electronic state density distribution of the Ag single-atom catalyst substrate is drastically altered, which realizes the increase of substrate active sites and rapid charge separation and transfer. Compared with the pristine substrate g-C3N4, the new electronic state distribution and the generation of impurity energy levels lead to the narrowing of the band gap from 2.77 to 1.83 eV, accelerating the transfer and separation of electrons and holes, and enlarging the visible light absorption range from 410 to 760 nm, thus improving the solar energy utilization. Despite the reduced band gap, the conduction and valance band edges of (Ag, Cu4) codoped g-C3N4 still have sufficient potential to split water. Therefore, to improve the photocatalytic performance under visible light, simultaneous codoping of the Ag single atom and Cu4 cluster on g-C3N4 is an effective strategy. The study provides theoretical support for further optimization of single-atom catalysts.

Multi-objective simulated annealing-based quantum circuit cutting for distributed quantum computation

In the current noisy intermediate-scale quantum (NISQ) era, the number of qubits and the depth of quantum circuits in a quantum computer are limited because of complex operation among increasing number of qubits, low-fidelity quantum gates under noise, and short coherence time of physical qubits. However, with distributed quantum computation (DQC) in which multiple small-scale quantum computers cooperate, large-scale quantum circuits can be implemented. In DQC, it is a key step to decompose large-scale quantum circuits into several small-scale subcircuits equivalently. In this paper, we propose a quantum circuit cutting scheme for the circuits consisting of only single-qubit gates and two-qubit gates. In the scheme, the number of non-local gates and the rounds of subcircuits operation are minimized by using the multi-objective simulated annealing (MOSA) algorithm to cluster the gates and to choose the cutting positions whilst using non-local gates. A reconstruction process is also proposed to calculate the probability distribution of output states of the original circuit. As an example, the 7-qubit circuit of Shor algorithm factoring 15 is used to verify the algorithm. Five cutting schemes are recommended, which can be selected according to practical requirements. Compared with the results of the mixing integer programming (MIP) algorithm, the number of execution rounds is efficiently reduced by slightly increasing the number of nonlocal gates.

Interface defect state induced spin injection in organic magnetic tunnel junctions

This article analytically explores defect assisted spin injection in organic magnetic tunnel junctions (MTJs) [x/rubrene/Co, x = La2O3, LaMnO3, La0.7Ca0.3MnO3 (LCMO), La0.7Sr0.3MnO3 (LSMO)] employing nonequilibrium Green’s function (NEGF). Spin precession at ferromagnet (FM)/organic semiconductor (OSC) interface defect states have been considered while modeling the MTJ devices. Variations in voltage dependent parallel (RP) and antiparallel (RAP) resistances have been attributed to modified spin dependent scattering at modified spin resolved density of states of magnetic electrodes. Moreover, change in distribution of defect state depths at a spin injection interface has also been observed to modify RP/RAP, and hence, tunnel magnetoresistance (TMR) across the devices. Localization of defect state distribution due to a high spin split band may have resulted in large TMR for La2O3 devices. Nonlinear spin transfer torque (STT) in devices other than LSMO indicates compensation of spin damping, resulting in a high TMR response across the devices. Hence, the localization of defect state distribution and the choice of magnetic electrodes with high spin split bands may be exercised to realize spintronic devices for low power spin memory applications.

Emission spectrum and photon statistics in cavity-QED system under incoherent pumping

The emission spectrum is an important tool for studying the properties and interactions of matter. By comparing analytical and numerical solutions, we validate the applicability and limitations of the low-excitation approximation. Here we show that even with a moderate pumping rate, rich multiple peaks can be observed in the emission spectrum which is the result of excitation of higher dressed rungs. Moreover, we find distinct photon distributions in the steady state under different pumping and coupling conditions and the physical mechanisms behind these phenomena are also illustrated. Additionally, we also show that the interference between the emission channels of the emitter and cavity can result in asymmetry of the emission spectrum of the whole system even if the emitter is resonant with the cavity field. Our findings can help in understanding the nonlinear characteristics and photon statistics in the cavity-QED systems.

Impact of voltage and frequency on electrical characteristics of MIS capacitors with triphenylamine layer

This study examines the effect of triphenylamine (TPA) interlayers on the electrical properties of Al/TPA/p-Si metal-interlayer/insulator material-semiconductor (MIS) capacitors. Using Gaussian software, TPA molecular structure was optimized, and HOMO-LUMO energy levels were simulated. Capacitance-conductance-voltage (C-G-V) measurements were performed at room temperature over −4 V to +4 V and 50 kHz–700 kHz. AFM and SEM analysis showed TPA films were smooth with a uniform thickness of about 178 nm. The C-V characteristics revealed a frequency-dependent decrease in capacitance, indicating a continuous distribution of interface states. Barrier height (ΦB) increased from 0.305 eV at 50 kHz to 0.655 eV at 700 kHz, while the active interface trap density (Dit) decreased from 6.73 × 1012 eV−1 cm−2 to 3.23 × 1011 eV−1 cm−2. Additionally, the accumulating region exhibited low series resistance values (between 6.88 and 8.44 Ω). These results suggest that TPA thin films are effective for MIS capacitors.

N-changing population of Rydberg states by low-energy electron-Rydberg collisions.

Inelastic n-changing collisions play an important role in the evolution of Rydberg atoms into ultracold plasmas. However, for the initially intermediate n (n ∼ 40) Rydberg states, these collisions can hardly be observed due to the low electron temperature in ultracold plasmas. In this work, we designed an experimental scheme to facilitate collisions between free electrons at 1.5eV and intermediate n Rydberg atoms. Using the field ionization technique, we measured the state distributions resulting from the evolution of initially cold rubidium atoms in the 45P3/2 Rydberg state. The experimentally obtained probability of inelastic collisions excitation agrees well with the Monte Carlo simulation results. In addition, our experimental results indicate that the n-changing population induced by hot electrons is significant for lower nP Rydberg states. Our work plays a significant role in calculating the rates of electron-ion three-body recombination in ultracold plasmas.

Study of Two-Photon induced excited state absorption of Three-Branched triphenylamine Derivatives: Cooperative and Anti-Cooperative effect of electron transition in the excited state

For multi-branched molecules, intramolecular cooperative effect can significantly enhance the molecular nonlinear optical absorption. Three triphenylamine-cored compounds (N1, N2 and N3) with three branches are synthesized to study the cooperative and anti-cooperative effect of electron transition in the excited state on two-photon absorption (TPA) and excited state absorption (ESA). Molecular polarization of these multi-branched triphenylamine derivatives is regulated by changing the molecular symmetry and the planarity of peripheral branches, to regulate their charge distribution and electron transition characteristics in the excited state. Here, we show that due to electronic coupling and interaction between certain branches, the asymmetric distribution of electron clouds in the excited states of these multi-branched molecules will lead to an enhancement of their TPA and ESA cross-sections, which is known as the cooperative effect of electron transitions. On the contrary, electronic coupling and interaction among all branches will lead to a highly symmetric distribution of electron clouds in the excited states of these multi-branched molecules, which will cause anti-cooperative effects and result in significant attenuation of TPA and ESA cross-sections.

Biofunctionalized dissolvable hydrogel microbeads enable efficient characterization of native protein complexes

The characterization of protein complex is vital for unraveling biological mechanisms in various life processes. Despite advancements in biophysical tools, the capture of non-covalent complexes and deciphering of their biochemical composition continue to present challenges for low-input samples. Here we introduce SNAP-MS, a Stationary-phase-dissolvable Native Affinity Purification and Mass Spectrometric characterization strategy. It allows for highly efficient purification and characterization from inputs at the pico-mole level. SNAP-MS replaces traditional elution with matrix dissolving during the recovery of captured targets, enabling the use of high-affinity bait-target pairs and eliminates interstitial voids. The purified intact protein complexes are compatible with native MS, which provides structural information including stoichiometry, topology, and distribution of proteoforms, size variants and interaction states. An algorithm utilizes the bait as a charge remover and mass corrector significantly enhances the accuracy of analyzing heterogeneously glycosylated complexes. With a sample-to-data time as brief as 2 hours, SNAP-MS demonstrates considerable versatility in characterizing native complexes from biological samples, including blood samples.

Unveiling full-dimensional distribution of trap states toward highly efficient perovskite photovoltaics

To gain a deep understanding and address key issues in perovskite photovoltaics, such as power conversion efficiency (PCE) and long-term stability, defect passivation and analysis of the device performance are required. Here, we proposed a non-contact characterization technique named scanning photocurrent measurement system (SPMS) for device surface detection, having conducted signal analysis and method adjustments based on perovskite photovoltaic devices. This technique enables the monitoring of minority carriers in the device, allowing for the investigation of carrier behavior based on photocurrent signals. By integrating SPMS with thermal conductance spectroscopy (TAS) and drive-level capacitance profiling (DLCP), we further simulated a spatial three-dimensional (3D) distribution of trap states in the device and analyzed the distribution of trap states matched with energy space. Through extensive case studies, we have validated the universality and accuracy of this method. The integration of trap state characterization techniques provides strong support for targeted defect passivation and performance evaluation of perovskite photovoltaic devices, yielding a highly efficient perovskite solar cell with PCE as high as 25.74%.

A Stable Implementation of a Data‐Driven Scale‐Aware Mesoscale Parameterization

AbstractOcean mesoscale eddies are often poorly represented in climate models, and therefore, their effects on the large scale circulation must be parameterized. Traditional parameterizations, which represent the bulk effect of the unresolved eddies, can be improved with new subgrid models learned directly from data. Zanna and Bolton (2020), https://doi.org/10.1029/2020gl088376 (ZB20) applied an equation‐discovery algorithm to reveal an interpretable expression parameterizing the subgrid momentum fluxes by mesoscale eddies through the components of the velocity‐gradient tensor. In this work, we implement the ZB20 parameterization into the primitive‐equation GFDL MOM6 ocean model and test it in two idealized configurations with significantly different dynamical regimes and topography. The original parameterization was found to generate excessive numerical noise near the grid scale. We propose two filtering approaches to avoid the numerical issues and additionally enhance the strength of large‐scale energy backscatter. The filtered ZB20 parameterizations led to improved climatological mean state and energy distributions, compared to the current state‐of‐the‐art energy backscatter parameterizations. The filtered ZB20 parameterizations are scale‐aware and, consequently, can be used with a single value of the non‐dimensional scaling coefficient for a range of resolutions. The successful application of the filtered ZB20 parameterizations to parameterize mesoscale eddies in two idealized configurations offers a promising opportunity to reduce long‐standing biases in global ocean simulations in future studies.

Bimetallic MnZn-MOF-74 with enhanced percentage of MnIII: Efficiently catalytic activity for direct oxidative carboxylation of olefins to cyclic carbonates under mild and solvent-free condition

Multi-functional MOF catalyst with oxidative- and acid- centers showed potential in olefins oxidative carboxylation to cyclic carbonates directly. In this work, a series of bimetallic MnZn-MOF-74 with different molar ratios of Mn and Zn were synthesized successfully through a one-pot facile method. Thoroughly characterization indicated that the existence of Zn regulated the valance state distribution of Mn in the obtained MnZn-MOF-74. Mn99.3Zn0.7-MOF-74 with the highest ratio of MnIII (61.3 %) performed the most efficient activity for olefin direct tandem oxidative carboxylation reaction using aqueous tert-butyl hydroperoxide oxidant under solvent-free condition of 90 °C, 1.0 MPa CO2 and 4 h. Mn99.3Zn0.7-MOF-74 also showed satisfactory versatility and recyclability. Based on the experiments, a feasible mechanism was presented. Thanks to the high ratio of active MnIII as main oxidative center, the coordination unsaturated bimetal Mn and Zn as Lewis-acid sites, O2– of metal − O as Lewis-base sites and combined effect with Bu4NBr cocatalyst, Mn99.3Zn0.7-MOF-74 presented efficient performance for the direct synthesis of cyclic carbonates from olefins. The metal Zn in MOF can regulate the valance state distribution of Mn and result in efficient catalytic property, presenting a potential avenue for direct oxidative carboxylation reaction of olefins to cyclic carbonates synthesis.

La anatomía de la raíz como evidencia filogenética para los helechos Cheilanthoides (Pteridaceae)

Background and aims: To our hypothesis on the evolutionary relationships of Cheilanthoid ferns, based on molecular data and partially on morphological and reproductive data, we add here a study of root anatomy in the genera of the subfamily occurring in South America. M&M: Root characters were analyzed anatomically in 48 South American species representing the 12 genera of Cheilanthoideae occurring in South America. Techniques of plant histology were used for anatomical analysis and tissue characterization. Characters with possible diagnostic value were identified and mapped on a molecular phylogeny of Cheilanthoideae based on three plastidial markers (rbcL, trnL-F and rps4). Results: The character "type of root cortex" showed a distribution of states that fit to the major clades or genera in the phylogeny of the subfamily. The homogeneous cortex state was plesiomorphic for Cheilanthoideae, whereas the heterogeneous bark state was acquired by some genera of the hemionitoid clade: Hemionitis and the genera of the Adiantopsis-Doryopteris clade (except Mineirella). In addition, we discuss the role of different tissues in the root mechanics of this group. Conclusions: The character "type of root cortex" could contribute to the characterization of genera and the generic assignment of confusing species in the classification of Cheilanthoideae. However, the complete resolution of the relationship of hemionitds clade in the global phylogeny of the subfamily is necessary.

An optimization-based equilibrium measure describes fixed points of non-equilibrium dynamics: application to edge of chaos

Abstract Understanding neural dynamics is a central topic in machine learning, non-linear physics and neuroscience. However, the dynamics is non-linear, stochastic and particularly non-gradient, i.e., the driving force can not be written as gradient of a potential. These features make analytic studies very challenging. The common tool is the path integral approach or dynamical mean-field theory, but the drawback is that one has to solve the integro-differential or dynamical mean-field equations, which is computationally expensive and has no closed form solutions in general. From the aspect of associated Fokker-Planck equation, the steady state solution is generally unknown. Here, we treat searching for the steady states as an optimization problem, and construct an approximate potential related to the speed of the dynamics, and find that searching for the ground state of this potential is equivalent to running an approximate stochastic gradient dynamics or Langevin dynamics. Only in the zero temperature limit, the distribution of the original steady states can be achieved. The resultant stationary state of the dynamics follows exactly the canonical Boltzmann measure. Within this framework, the quenched disorder intrinsic in the neural networks can be averaged out by applying the replica method, which leads naturally to order parameters for the non-equilibrium steady states. Our theory reproduces the well-known result of edge-of-chaos, and further the order parameters characterizing the continuous transition are derived, and the order parameters are explained as fluctuations and responses of the steady states. Our method thus opens the door to analytically study the steady state landscape of the deterministic or stochastic high dimensional dynamics.

Binding mechanisms of trivalent chromium on colloidal phases from ultramafic systems: Insights from batch experiments and XAS analysis

Understanding the availability and mobility of chromium is a key factor in gaining insight into the fate of chromium and thus essential for assessing the risk of contamination and developing effective remediation strategies. In the natural environment, such as ultramafic systems, which are natural pools of chromium, chromium occurs mostly in the trivalent state (Cr(III)), which is known to have a high affinity for the solid phases such as particles and colloids. However, since Cr(VI) is more toxic, the vast majority of experimental studies focus on its reduction to Cr(III), which is often considered to form (hydr)oxide precipitates due to its poor solubility. Furthermore, while the oxidation state of Cr dictates its geochemical behavior, its interaction with particles and colloids is rarely controlled or monitored. Therefore, the interaction mechanisms between Cr(III) and particles or colloids require further attention. In this study, ten mineral phases (goethite, hematite, pyrolusite, kaolinite, montmorillonite, chlorite, serpentine, fuchsite, amphibole, and chromite) and one organic phase (humic acid), relevant to chromium bearing and carrier phases in ultramafic soils, were investigated to explore their interaction with Cr(III) species. These phases were first characterized by various techniques (including XRD, XRF, SEM, and BET). Adsorption and desorption experiments of Cr(III) on these phases were then carried out, and the distribution of Cr oxidation states in both the aqueous and solid phases was carefully monitored using UV–vis spectroscopy, geochemical speciation modeling, and Cr K-edge XAS spectroscopy. With the exception of pyrolusite, where partial oxidation of Cr(III) to Cr(VI) occurred, Cr(III) was shown to persist as a single oxidation state in all experiments. Desorption analyses showed significantly low desorbed rates, which further confirmed the prevalence of Cr(III). Experimental sorption isotherm data were interpreted using the Langmuir model and its linearized form, which provides important thermodynamic characteristics of adsorbents related to their structural and surface features. This study will provide better constraints for the understanding and prediction of Cr behavior and fate in the environment, especially in ultramafic systems.

Imaging study of O3 photodissociation in the Huggins band.

We report a velocity-mapped ion imaging study of the photodissociation of O3 in the Huggins band. The O(3PJ) images show evidence for three electronic channels producing O2(X3Σg-), O2(a1∆g), and O2(b1Σg+) state fragments, with the latter two arising from the spin-forbidden photodissociation of O3. Forward convolution simulations of the derived total translational energy distributions permit extraction of the vibrational state distribution for each O2 electronic state. All these distributions peak near v = 0 and decrease monotonically with the vibrational state. The wavelength-dependent branching of the three electronic channels has been determined and is approximately constant over the wavelength region studied (322-328nm). We have observed that the O2 electronic state branching ratios depend on the coincident O(3PJ) spin-orbit state, and the O2(b1Σg+) state is particularly sensitive. These results are qualitatively consistent with previous calculations on the coupling of the initially excited state to dissociative states by Rosenwaks and Grebenshchikov [J. Phys. Chem. A. 114, 9809-9819 (2010)]. The spatial anisotropy of the three dissociation channels has been determined through analysis of the O(3P0) angular distributions. The results are consistent with recent calculations but differ from previous experimental reports. The experimental results provide detailed information on the dissociation dynamics and should motivate new calculations.