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Understanding improved electrochemical properties of NiO-doped NiF2–C composite conversion materials by X-ray absorption spectroscopy and pair distribution function analysis
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Modeling Short-Range Order in Disordered Rocksalt Cathodes by Pair Distribution Function Analysis
Pair distribution function (PDF) analysis is a powerful technique for the characterization of short-range order (SRO) in disordered materials. Accurate interpretation of experimental PDF data is critically reliant on the development of structural models that can account for local variations in site occupancies and bond lengths. To this end, we outline an approach to model SRO using first-principles calculations based on the cluster-expansion formalism. These methods are validated on neutron scattering data from two disordered rocksalt oxyfluorides, Li 1.3 Mn 0.4 Ti 0.3 O 1.7 F 0.3 and Li 1.3 Mn 0.4 Nb 0.2 Ti 0.1 O 1.7 F 0.3 . For each composition, we demonstrate that an average structure without any SRO fails to reproduce several key features in the experimental PDF. To pinpoint the origin of the suspected SRO in these materials, configurational and displacive effects were separately investigated using two disparate models. Special quasi-random structures were relaxed using density functional theory to account for local changes in bond lengths while maintaining a near-random ionic configuration. This leads to slightly improved accuracy but still misrepresents asymmetry in the first few peaks of the PDF. Monte Carlo simulations were performed to model configurational SRO on a fixed lattice, which by itself is shown to have a minimal influence on the PDF. Instead, we find that it is the bond length relaxations within environments created by SRO which controls the details of the PDF, thereby highlighting the subtle but important coupling between configurational and displacive SRO in disordered materials.
A refinement procedure for determining the crystallite orientation distribution function
Crystallite orientation distribution function refinement procedure, considering application to isotactic polystyrene
Fault Detection of Rotating Machinery using the Spectral Distribution Function
The spectral distribution function is introduced to characterize the process leading to faults in rotating machinery. It is shown to be a more robust indicator than conventional power spectral density estimates, but requires only slightly more computational effort. The method is illustrated with examples from seeded gearbox transmission faults and an analytical model of a defective bearing. Procedures are suggested for implementation in realistic environments.
THE MASS DISTRIBUTION FUNCTION OF PLANETS
The distribution of orbital period ratios of adjacent planets in extrasolar planetary systems discovered by the Kepler space telescope exhibits a peak near ∼1.5–2, a long tail of larger period ratios, and a steep drop-off in the number of systems with period ratios below ∼1.5. We find from these data that the dimensionless orbital separations have an approximately log-normal distribution. Using Hill’s criterion for the dynamical stability of two planets, we find an upper bound on planet masses such that the most common planet mass does not exceed 10{sup −3.2}m{sub ∗}, or about two-thirds of Jupiter’s mass for solar-mass stars. Assuming that the mass ratio and the dynamical separation (orbital spacings in units of mutual Hill radius) of adjacent planets are independent random variates, and adopting empirical distributions for these, we use Hill’s criterion in a statistical way to estimate the planet mass distribution function from the observed distribution of orbital separations. We find that the planet mass function is peaked in logarithm of mass, with a peak value and standard deviation of logm/M{sub ⊕} of ∼(0.6−1.0) and ∼(1.1−1.2), respectively.
Transverse-momentum-dependent parton distribution/fragmentation functions at an electron-ion collider
We present a summary of a recent workshop held at Duke University on Partonic Transverse Momentum in Hadrons: Quark Spin-Orbit Correlations and Quark-Gluon Interactions. The transverse momentum dependent parton distribution functions (TMDs), parton-to-hadron fragmentation functions, and multi-parton correlation functions, were discussed extensively at the Duke workshop. In this paper, we summarize first the theoretical issues concerning the study of partonic structure of hadrons at a future electron-ion collider (EIC) with emphasis on the TMDs. We then present simulation results on experimental studies of TMDs through measurements of single spin asymmetries (SSA) from semi-inclusive deep-inelastic scattering (SIDIS) processes with an EIC, and discuss the requirement of the detector for SIDIS measurements. The dynamics of parton correlations in the nucleon is further explored via a study of SSA in D (`D) production at large transverse momenta with the aim of accessing the unexplored tri-gluon correlation functions. The workshop participants identified the SSA measurements in SIDIS as a golden program to study TMDs in both the sea and valence quark regions and to study the role of gluons, with the Sivers asymmetry measurements as examples. Such measurements will lead to major advancement in our understanding of TMDs in the valence quark region, and more importantly also allow for the investigation of TMDs in the sea quark region along with a study of their evolution.
Effects of the guide field on electron distribution functions in the diffusion region of asymmetric reconnection
Crescent electron distribution functions in the electron diffusion region in asymmetric reconnection with a guide field (strength less than 50% of the upstream magnetic field) are investigated by theory and fully kinetic simulations. Electron motion in the electron diffusion region is a combination of meandering across the current sheet and gyration around the guide field. Combining the two canonical momentum conservation laws in a one-dimensional model with the energy conservation law, we derive the shape of crescent electron distribution functions in both velocity planes: perpendicular to the magnetic field and coplanner with the magnetic field. There are two major effects of the guide field on crescent distribution functions: (1) widening the opening angle of the crescent in a reduced distribution function and (2) the linear cut-off of a distribution function nonparallel to the magnetic field. We also discuss a translational mapping (perpendicular to the linear cut-off) of distribution functions between the X-line and another position. In addition, considering the gyration due to the normal magnetic field, we predict the shape of distribution functions in general positions in the electron diffusion region. Finally, the predictions will be useful to identify features of magnetic reconnection in a guide field by satellite observations.
Approximate methods for obtaining radial distribution functions of fluids.
Radial distribution functions for fluid particle interactions with pairwise radial forces approximated for three potential models
Plasma thermal transport with a generalized 8-moment distribution function
Moment equations that model plasma transport require an ansatz distribution function to close the system of equations. The resulting transport is sensitive to the specific closure used, and several options have been proposed in the literature. Two different 8-moment distribution functions can be generalized to form a single-parameter family of distribution functions. The transport coefficients resulting from this generalized distribution function can be expressed in terms of this free parameter. This provides the flexibility of matching the 8-moment model to some validating result at a given magnetization value, such as Braginskii’s transport, or the more recent results of Davies et al. [Physics of Plasma, 28, 012305 (2021)]. Here, this process can be thought of as solving for the 8-moment distribution function that matches the value of a transport coefficient given by a Chapman-Enskog expansion, while retaining the improved physical properties, such as finite propagation speeds and time dependence which belong to the hyperbolic moment models. Since the presented generalized distribution function only has a single free parameter, only a single transport coefficient can be matched at a time. However, this generalization process may be extended to provide multiple free parameters. The focus of this Brief Communication is on the dramatically improved thermal conductivity of the proposed model compared to the two base moment models.
Random Lorentz band model with exponential- tailed S super -1 line-intensity distribution function.
1/s line intensity distribution function for molecular spectra representation using growth curves calculated for Lorentz lines
Asymptotic behavior of double parton distribution functions
The double parton distribution functions are investigated in the region of small longitudinal momentum fractions in the leading logarithm approximation of perturbative QCD. It is shown that these functions have the factorization property in the case of one slow and one fast parton.
First simultaneous global QCD analysis of dihadron fragmentation functions and transversity parton distribution functions
We perform a comprehensive study within quantum chromodynamics (QCD) of dihadron observables in electron-positron annihilation, semi-inclusive deep-inelastic scattering, and proton-proton collisions, including recent cross section data from Belle and azimuthal asymmetries from STAR. We extract simultaneously for the first time π + π − dihadron fragmentation functions (DiFFs) and the nucleon transversity distributions for up and down quarks as well as antiquarks. For the transversity distributions we impose their small- x asymptotic behavior and the Soffer bound. In addition, we utilize a new definition of DiFFs that has a number density interpretation to then calculate expectation values for the dihadron invariant mass and momentum fraction. Furthermore, we investigate the compatibility of our transversity results with those from single-hadron fragmentation (from a transverse momentum dependent/collinear twist-3 framework) and the nucleon tensor charges computed in lattice QCD. We find a universal nature to all of this available information. Future measurements of dihadron production can significantly further this research, especially, as we show, those that are sensitive to the region of large parton momentum fractions. Published by the American Physical Society 2024
DE-1 observations of hole electron distribution functions and the cyclotron maser resonance
The hole electron distribution functions observed by the DE-1 satellite within inverted-V events at altitudes of between 9000 km and 15,000 km are examined as a possible free energy source for exciting Z-mode radiation through cyclotron maser resonance. In the DE-1 observations the hole distribution function had center velocities varying between 8000 km/s and 20,000 km/s, with the radii varying between 2000 km/s and 10,000 km/s. The observed distribution function is fitted by an exponential function around the center of the hole, and is used to calculate growth rates of Z-mode radiation. Growth rates as high as 0.001 of the electron gyrofrequency are obtained. It is also shown that the observed hole distribution functions can excite Z-mode radiation at wave frequencies slightly above the gyrofrequency, and wave propagation angles slightly below 90 deg in the source region. The results suggest that the hole distribution function could provide additional amplification for Z-mode waves in the auroral zone.
Seasonal Variability of Middle Latitude Ozone in the Lowermost Stratosphere Derived from Probability Distribution Functions
We present a study of the distribution of ozone in the lowermost stratosphere with the goal of characterizing the observed variability. The air in the lowermost stratosphere is divided into two population groups based on Ertel's potential vorticity at 300 hPa. High (low) potential vorticity at 300 hPa indicates that the tropopause is low (high), and the identification of these two groups is made to account for the dynamic variability. Conditional probability distribution functions are used to define the statistics of the ozone distribution from both observations and a three-dimensional model simulation using winds from the Goddard Earth Observing System Data Assimilation System for transport. Ozone data sets include ozonesonde observations from northern midlatitude stations (1991-96) and midlatitude observations made by the Halogen Occultation Experiment (HALOE) on the Upper Atmosphere Research Satellite (UARS) (1994- 1998). The conditional probability distribution functions are calculated at a series of potential temperature surfaces spanning the domain from the midlatitude tropopause to surfaces higher than the mean tropical tropopause (approximately 380K). The probability distribution functions are similar for the two data sources, despite differences in horizontal and vertical resolution and spatial and temporal sampling. Comparisons with the model demonstrate that the model maintains a mix of air in the lowermost stratosphere similar to the observations. The model also simulates a realistic annual cycle. Results show that during summer, much of the observed variability is explained by the height of the tropopause. During the winter and spring, when the tropopause fluctuations are larger, less of the variability is explained by tropopause height. This suggests that more mixing occurs during these seasons. During all seasons, there is a transition zone near the tropopause that contains air characteristic of both the troposphere and the stratosphere. The relevance of the results to the assessment of the environmental impact of aircraft effluence is also discussed.
Collisionless distribution function for the relativistic force-free Harris sheet
A self-consistent collisionless distribution function for the relativistic analogue of the force-free Harris sheet is presented. This distribution function is the relativistic generalization of the distribution function for the non-relativistic collisionless force-free Harris sheet recently found by Harrison and Neukirch [Phys. Rev. Lett. 102, 135003 (2009)], as it has the same dependence on the particle energy and canonical momenta. We present a detailed calculation which shows that the proposed distribution function generates the required current density profile (and thus magnetic field profile) in a frame of reference in which the electric potential vanishes identically. The connection between the parameters of the distribution function and the macroscopic parameters such as the current sheet thickness is discussed.
Seasonal Variability of Middle Latitude Ozone in the Lowermost Stratosphere Derived from Probability Distribution Functions
We present a study of the distribution of ozone in the lowermost stratosphere with the goal of understanding the relative contribution to the observations of air of either distinctly tropospheric or stratospheric origin. The air in the lowermost stratosphere is divided into two population groups based on Ertel's potential vorticity at 300 hPa. High [low] potential vorticity at 300 hPa suggests that the tropopause is low [high], and the identification of the two groups helps to account for dynamic variability. Conditional probability distribution functions are used to define the statistics of the mix from both observations and model simulations. Two data sources are chosen. First, several years of ozonesonde observations are used to exploit the high vertical resolution. Second, observations made by the Halogen Occultation Experiment [HALOE] on the Upper Atmosphere Research Satellite [UARS] are used to understand the impact on the results of the spatial limitations of the ozonesonde network. The conditional probability distribution functions are calculated at a series of potential temperature surfaces spanning the domain from the midlatitude tropopause to surfaces higher than the mean tropical tropopause [about 380K]. Despite the differences in spatial and temporal sampling, the probability distribution functions are similar for the two data sources. Comparisons with the model demonstrate that the model maintains a mix of air in the lowermost stratosphere similar to the observations. The model also simulates a realistic annual cycle. By using the model, possible mechanisms for the maintenance of mix of air in the lowermost stratosphere are revealed. The relevance of the results to the assessment of the environmental impact of aircraft effluence is discussed.