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DOE OSTI2013

A Checklist to Improve Patient Safety in Interventional Radiology

To develop a specific RADiological Patient Safety System (RADPASS) checklist for interventional radiology and to assess the effect of this checklist on health care processes of radiological interventions. On the basis of available literature and expert opinion, a prototype checklist was developed. The checklist was adapted on the basis of observation of daily practice in a tertiary referral centre and evaluation by users. To assess the effect of RADPASS, in a series of radiological interventions, all deviations from optimal care were registered before and after implementation of the checklist. In addition, the checklist and its use were evaluated by interviewing all users. The RADPASS checklist has two parts: A (Planning and Preparation) and B (Procedure). The latter part comprises checks just before starting a procedure (B1) and checks concerning the postprocedural care immediately after completion of the procedure (B2). Two cohorts of, respectively, 94 and 101 radiological interventions were observed; the mean percentage of deviations of the optimal process per intervention decreased from 24 % before implementation to 5 % after implementation (p < 0.001). Postponements and cancellations of interventions decreased from 10 % before implementation to 0 % after implementation. Most users agreed that the checklist was user-friendly and increased patient safety awareness and efficiency. The first validated patient safety checklist for interventional radiology was developed. The use of the RADPASS checklist reduced deviations from the optimal process by three quarters and was associated with less procedure postponements.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2019

The simulation on absorption properties of metamaterial/GaAs/electrode layer hybrid structure based Terahertz photoconductive detector

Terahertz (THz) photodetectors have attracted great attention from scientists worldwide for their application in security checking, biomedical treatment and astronomical observation of remote stars and distant galaxies. As a typical THz detector, extrinsic GaAs based photoconductive detector is facing critical technical bottlenecks in the epitaxial growth of sufficiently thick and high-quality GaAs absorption layer. In this work, a novel THz photoconductive detector based on metamaterial/GaAs/electrode layer hybrid structure was designed and simulated. By setting the periodic split ring resonator (SRR) structure as 88 μm pitch with 8 μm width, the absorption peaks exist at the wavelength of about 142 and 367 μm, which originate from the resonant cavity and the SRR dipole resonance effect, and the novel device shows a significant enhancement compared with the conventional GaAs photoconductive detector. Thus, the necessary thickness of GaAs absorption-layer is largely reduced, and the resonant absorption peak can be modulated by changing the thickness of absorption layer. This work provides a novel device structure which can solve the critical epitaxial growth bottleneck of GaAs photoconductive detector and used for the astronomical observation, security check, etc.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2013

States in the Hilbert space formulation and in the phase space formulation of quantum mechanics

We consider the problem of testing whether a given matrix in the Hilbert space formulation of quantum mechanics or a function considered in the phase space formulation of quantum theory represents a quantum state. We propose several practical criteria for recognising states in these two versions of quantum physics. After minor modifications, they can be applied to check positivity of any operators acting in a Hilbert space or positivity of any functions from an algebra with a ∗-product of Weyl type. -- Highlights: ► Methods of testing whether a given matrix represents a quantum state. ► The Stratonovich–Weyl correspondence on an arbitrary symplectic manifold. ► Criteria for checking whether a function on a symplectic space is a Wigner function.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Nonlocal hyperconcentration on entangled photons using photonic module system

Entanglement distribution will inevitably be affected by the channel and environment noise. Thus distillation of maximal entanglement nonlocally becomes a crucial goal in quantum information. Here we illustrate that maximal hyperentanglement on nonlocal photons could be distilled using the photonic module and cavity quantum electrodynamics, where the photons are simultaneously entangled in polarization and spatial-mode degrees of freedom. The construction of the photonic module in a photonic band-gap structure is presented, and the operation of the module is utilized to implement the photonic nondestructive parity checks on the two degrees of freedom. We first propose a hyperconcentration protocol using two identical partially hyperentangled initial states with unknown coefficients to distill a maximally hyperentangled state probabilistically, and further propose a protocol by the assistance of an ancillary single photon prepared according to the known coefficients of the initial state. In the two protocols, the total success probability can be improved greatly by introducing the iteration mechanism, and only one of the remote parties is required to perform the parity checks in each round of iteration. Estimates on the system requirements and recent experimental results indicate that our proposal is realizable with existing or near-further technologies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2018

Two-nucleon emission in neutrino and electron scattering from nuclei: The modified convolution approximation

The theoretical formalism of inclusive lepton–nucleus scattering in the two-nucleon emission channel is discussed in the context of a simplified approach, the modified convolution approximation. This allows one to write the 2p2h responses of the relativistic Fermi gas as a folding integral of two 1p1h responses with the energies and momenta transferred to each nucleon. The idea behind this method is to introduce different average momenta for the two initial nucleons in the matrix elements of the two-body current, with the innovation that they depend on the transferred energies and momenta. This method treats exactly the two-body phase space kinematics, and reduces the formulae of the response functions from seven-dimensional integrals over momenta to much simpler three-dimensional ones. The applicability of the method is checked by comparing with the full results within a model of electroweak meson-exchange currents. The predictions are accurate enough, especially in the low-energy threshold region where the average momentum approximation works the best.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2015

Inhibition of H3K9 methyltransferase G9a induces autophagy and apoptosis in oral squamous cell carcinoma

Objective: To explore whether inhibition of H3K9 Methyltransferase G9a could exert an antitumoral effect in oral squamous cell carcinoma (OSCC). Materials and methods: First we checked G9a expression in two OSCC cell lines Tca8113 and KB. Next we used a special G9a inhibitor BIX01294 (BIX) to explore the effect of inhibition of G9a on OSCC in vitro. Cell growth was tested by typlan blue staining, MTT assay and Brdu immunofluorescence staining. Cell autophagy was examined by monodansylcadaverine (MDC) staining, LC3-II immunofluorescence staining and LC3-II western blot assay. Cell apoptosis was checked by FITC Annexin-V and PI labeling, tunnel staining and caspase 3 western blot assay. Finally, the effect of inhibition of G9a on clonogenesis and tumorigenesis capacity of OSCC was analyzed by soft agar growth and xenograft model. Results: Here we showed that G9a was expressed in both Tca8113 and KB cells. Inhibition of G9a using BIX significantly reduced cell growth and proliferation in Tca8113 and KB. Inhibition of G9a induced cell autophagy with conversion of LC3-I to LC3-II and cell apoptosis with the expression of cleaved caspase 3. We also found that inhibition of G9a reduced colony formation in soft agar and repressed tumor growth in mouse xenograph model. Conclusion: Our results suggested that G9a might be a potential epigenetic target for OSCC treatment. - Highlights: • Inhibition of G9a reduced cell growth and proliferation in OSCC cells. • Inhibition of G9a induces autophagy and apoptosis in OSCC cells. • Inhibition of G9a repressed tumor growth in mouse xenograph model.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

The Electrolyte Genome project: A big data approach in battery materials discovery

We present a high-throughput infrastructure for the automated calculation of molecular properties with a focus on battery electrolytes. The infrastructure is largely open-source and handles both practical aspects (input file generation, output file parsing, and information management) as well as more complex problems (structure matching, salt complex generation, and failure recovery). Using this infrastructure, we have computed the ionization potential (IP) and electron affinities (EA) of 4830 molecules relevant to battery electrolytes (encompassing almost 55,000 quantum mechanics calculations) at the B3LYP/6-31+G(*) level. We describe automated workflows for computing redox potential, dissociation constant, and salt-molecule binding complex structure generation. We present routines for automatic recovery from calculation errors, which brings the failure rate from 9.2% to 0.8% for the QChem DFT code. Automated algorithms to check duplication between two arbitrary molecules and structures are described. We present benchmark data on basis sets and functionals on the G2-97 test set; one finding is that a IP/EA calculation method that combines PBE geometry optimization and B3LYP energy evaluation requires less computational cost and yields nearly identical results as compared to a full B3LYP calculation, and could be suitable for the calculation of large molecules. Our data indicates that among the 8 functionals tested, XYGJ-OS and B3LYP are the two best functionals to predict IP/EA with an RMSE of 0.12 and 0.27 eV, respectively. Application of our automated workflow to a large set of quinoxaline derivative molecules shows that functional group effect and substitution position effect can be separated for IP/EA of quinoxaline derivatives, and the most sensitive position is different for IP and EA. Published by Elsevier B.V

Battery↗

DOE OSTI2020

Genarris 2.0: A Random Structure Generator for Molecular Crystals

Genarris is an open source Python package for generating random molecular crystal structures with physical constraints for seeding crystal structure prediction algorithms and training machine learning models. Here we present a new version of the code, containing several major improvements. A MPI-based parallelization scheme has been implemented, which facilitates the seamless sequential execution of user-defined workflows. A new method for estimating the unit cell volume based on the single molecule structure has been developed using a machine-learned model trained on experimental structures. A new algorithm has been implemented for generating crystal structures with molecules occupying special Wyckoff positions. A new hierarchical structure check procedure has been developed to detect unphysical close contacts efficiently and accurately. New intermolecular distance settings have been implemented for strong hydrogen bonds. To demonstrate these new features, we study two specific cases: benzene and glycine. Genarris finds the experimental structures of the two polymorphs of benzene and the three polymorphs of glycine. Program summary Program Title: Genarris 2.0 Program Files doi: http://dx.doi.org/10.17632/grx6mz4pjn.1 Licensing provisions: BSD-3 Clause Programming language: Python, C External routines/libraries: Spglib, ASE, pymatgen, SciPy, mpi4py, scikit-learn, PyTorch, FHI-aims. Nature of problem: Molecular crystal structure prediction. Solution method: Genarris 2.0 generates molecular crystal structures over the 230 space groups, on general and special Wyckoff positions, using physical constraints. Down-sampling of the generated structures may be performed subsequently, based on molecular crystal packing descriptors and an unsupervised machine learning algorithm. Lastly, ab initio structure relaxation may be performed for the final pool. Depending on the user-defined workflow implemented, Genarris may be used to generate diverse molecular crystal datasets to seed evolutionary algorithms or to train machine learning algorithms or as a standalone crystal structure prediction method. Restrictions: For crystal structure generation, the molecule of interest must be semi-rigid with no bond rotational degrees of freedom. Unusual features: Genarris 2.0 is a highly distributed program, making use of MPI for Python parallelization. The user has the ability to design and implement workflows by executing a user-defined list of procedures. Genarris 2.0 offers new features including a machine learning model for estimating the molecular volume in the solid state from the single molecule structure, structure generation in special Wyckoff positions of space groups, hierarchical structure checks including rigorous treatment of non-orthogonal structures, and clustering and down-selection workflows combining first principles simulations with machine learning. (C) 2020 Elsevier B.V. All rights reserved.

Crystal structure prediction↗

DOE OSTI2017

Community participation in Health Impact Assessment. A scoping review of the literature

Currently, the engagement of local communities in Health Impact Assessment is becoming more and more important. A scoping review was performed to take stock of visions, methods and experiences in this field. A combined Scopus and Medline search yielded 100 articles in scientific journals. The final selection consisted of 43 papers, including case studies, evaluation studies, reviews, and opinion papers. After analysis, consultation of four experts was performed to check preliminary study outcomes. A grey literature web search was performed to check and complement the results. Results show that community participation is generally considered a core element in HIA. Views as expressed in the papers concern, firstly, the need for and value of local knowledge, secondly, the adherence to or application of democratic values and, thirdly, empowerment of communities. Three categories of methods are used in relation to community participation, often in combination: methods to facilitate knowledge elicitation, to ensure the inclusion of communities in the HIA process, and to build community capacity to participate in policy development. However, the theoretical or practical underpinning of the choice for specific methods is mostly not presented. The experiences described in the papers mainly focus on the access to local knowledge and its usability as a source of evidence in the HIA process. Described effects of community participation are (improved) relations between communities and local agencies, policy makers and professionals and the empowerment of community members. Although these effects are ascribed to community participation, many papers do not provide support for this conclusion beyond the retrospective perception of participants. Expert consultation and additional analysis of the grey literature supported the results derived from the scientific literature and provided more in-depth knowledge. In the grey literature theoretical frameworks, methods and tools for community participation in HIA were more extensively reported as compared to the scientific literature. We conclude that the visions, methods and experiences concerning community participation show that a participative approach may contribute to better, context specific knowledge. It appears that participative HIA has health promotion potential as it helps develop responsive policies. To accomplish this, HIA should, firstly, be better embedded in broader health promotion programmes. Secondly, the methods and approaches for community participation applied in HIA should be theory-informed and well described. The grey literature offers entry points. Finally, more robust and systematic evaluation and research is needed to assess the impact of HIAs on communities and policies.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Erosion resistance test of SiC mirror sample for ITER divertor VUV spectrometer

A series of tests have been performed to validate the resistance of the Silicon Carbide (SiC) mirror as the first mirror material of ITER VUV spectrometers to all ITER environmental conditions. Here we focused on the erosion (and deposition) of the SiC mirror sample caused by high-energy neutral particles. The flux of neutral particles reaching the first mirror was calculated using the ZEMAX software with a simplified entrance duct model. In the calculation, the particle flux reaching the first wall is necessary and the previously reported values derived from the SOLPS calculations were used. Based on this estimated particle flux, the erosion resistance tests were performed to check the erosion effect due to the high-energy neutral particles on the first mirror of ITER divertor VUV spectrometer. In the experiment, erosion was induced by exposing the SiC mirror sample to hydrogen and deuterium plasmas (and ions). The target fluence of incident ions in experiment is based on the estimation of the flux of neutral particles in ITER. The surface shape, composition, erosion depth, and surface roughness were measured to check the damage of the mirror surface after erosion test. Based on simulations and erosion resistance tests, it was concluded that the SiC mirror can be used as the first mirror of ITER divertor VUV spectrometer.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2016

A mixed model approach for evaluating yield improvements in interspecific hybrids of shrub willow, a dedicated bioenergy crop

Lignocellulosic bioenergy crops such as shrub willow (Salix spp.) are expected to have a significant role in climate mitigation strategies. Yield is perhaps the most important trait for genetic selection and development of biomass feedstocks, but the selection process is complicated by the strong influence that environmental factors has on cultivar performance. Understanding the genotype-by-environment interactions using regional yield trials of shrub willow will inform future breeding efforts and improve the ability to make regionally-specific cultivar recommendations. Here we analyzed two yield trial datasets containing genotypes from successive rounds of breeding using a series of mixed models. Stability variance parameters were used together with overall yields to identify genotypes with stable yields or specific adaptation. Analysis of the first dataset revealed a group of triploid interspecific hybrid cultivars with exceptional performance and specific adaptation to either poor or good quality environments. The best performing cultivar showed a 14% yield improvement over the mean of the check cultivars. In the second dataset, new selections were assessed along with the top performing cultivars from dataset 1. New triploid hybrids had yields 19 to 27% greater than the check cultivar and exhibited similar patterns of specific adaptation as some of the selections from the first dataset. Partial least squares regression analysis indicated that top-yielding genotypes were favored in environments with higher temperatures and greater growing degree days. This analysis demonstrates incremental improvements in yield with successive rounds of breeding through the development of interspecific triploid hybrids.

09 BIOMASS FUELS↗

DOE OSTI2013

Thermodynamic estimation: Ionic materials

Thermodynamics establishes equilibrium relations among thermodynamic parameters (“properties”) and delineates the effects of variation of the thermodynamic functions (typically temperature and pressure) on those parameters. However, classical thermodynamics does not provide values for the necessary thermodynamic properties, which must be established by extra-thermodynamic means such as experiment, theoretical calculation, or empirical estimation. While many values may be found in the numerous collected tables in the literature, these are necessarily incomplete because either the experimental measurements have not been made or the materials may be hypothetical. The current paper presents a number of simple and relible estimation methods for thermodynamic properties, principally for ionic materials. The results may also be used as a check for obvious errors in published values. The estimation methods described are typically based on addition of properties of individual ions, or sums of properties of neutral ion groups (such as “double” salts, in the Simple Salt Approximation), or based upon correlations such as with formula unit volumes (Volume-Based Thermodynamics). - Graphical abstract: Thermodynamic properties of ionic materials may be readily estimated by summation of the properties of individual ions, by summation of the properties of ‘double salts’, and by correlation with formula volume. Such estimates may fill gaps in the literature, and may also be used as checks of published values. This simplicity arises from exploitation of the fact that repulsive energy terms are of short range and very similar across materials, while coulombic interactions provide a very large component of the attractive energy in ionic systems. Display Omitted - Highlights: • Estimation methods for thermodynamic properties of ionic materials are introduced. • Methods are based on summation of single ions, multiple salts, and correlations. • Heat capacity, entropy, lattice energy, enthalpy, Gibbs energy values are available.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Initial tests of large format sensors for the ATLAS ITk strip tracker

For the construction of the Inner Tracker (ITk) as part of the phase-II upgrade programme of the ATLAS detector for the High-Luminosity (HL) LHC, batches of Long Strip (LS) and Short Strip (SS) n + -in-p type micro-strip sensors have been produced by Hamamatsu Photonics and Infineon. The full size sensors measure approximately 98 × 98 mm 2 and are designed and engineered for tolerance against the 9.7 × 10 14 1 MeV n eq /cm 2 fluence expected at the HL-LHC, including a safety factor of 1.5. Each sensor has 2 or 4 columns of 1280 individual channels arranged at 75.5 μ m horizontal pitch. To ensure the sensors comply with their specifications, a Quality Control (QC) procedure has been implemented, comprising measurements on every individual sensor as well as on a sample basis. Every sensor is subjected to an initial visual inspection, after which the full surface of the sensor is captured with very high resolution by an automated camera setup. Non-contact metrology is performed to obtain the sensor surface profile. Electrical measurements establishing the reverse bias leakage current and depletion voltage are then conducted automatically. Sample sensors from every batch are subjected to 40 h of leakage stability checks in controlled atmosphere, and tests on every channel measuring leakage current, coupling capacitance and bias resistance are done. The recorded results are uploaded to a production database following data quality checks. In this paper, QC test validation data and the compiled results for the first batches of production grade sensors are presented. The QC protocol was validated, and the first production sensors were confirmed to be within specification. The results are compared to those from the previous generation of prototype sensors.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Why matter effects matter for JUNO

In this paper we focus on the Earth matter effects for the solar parameter determination by a medium baseline reactor experiment such as JUNO. We derive perturbative expansions for the mixing angles θ 12 and θ 13 as well as the Δm$^{2}_{21}$ and Δm$^{2}_{31}$ in terms of the matter potential relevant for JUNO. These expansions, up to second order in the matter potential, while simple, allow one to calculate the electron antineutrino survival probability to a precision much better than needed for the JUNO experiment. We use these perturbative expansions to semi-analytically explain and confirm the shift caused by the matter effects on the solar neutrino mixing parameters θ 12 and Δm$^{2}_{21}$ which were previously obtained by a purely numerical χ 2 analysis. Since these shifts do not satisfy the naive expectations and are significant given the precision that can be achieved by the JUNO experiment, a totally independent cross check using a completely different method is of particular importance. We find that these matter effect shifts do not depend on any of the details of the detector characteristics apart from the baseline and earth mass density between reactor(s) and detector, but do depend on the normalized product of reactor neutrino spectrum times the inverse-beta decay cross-section. The results of this manuscript suggests an alternative analysis method for measuring sin 2 θ 12 and Δm$^{2}_{21}$ in JUNO which would be a useful cross check of the standard analysis and for the understanding of the Wolfenstein matter effect. The explanation of these shifts together with a quantitative understanding, using a semi-analytical method, is the principal purpose of this paper.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

The gallium anomaly

In order to test the end-to-end operations of gallium solar neutrino experiments, intense electron-capture sources were fabricated to measure the responses of the radiochemical SAGE and GALLEX/GNO detectors to known fluxes of low-energy neutrinos. Such tests were viewed at the time as a cross-check, given the many tests of 71 Ge recovery and counting that had been routinely performed, with excellent results. However, the four 51 Cr and 37 Ar source experiments yielded rates below expectations, a result commonly known as the Ga anomaly. As the intensity of the electron-capture sources can be measured to high precision, the neutrino lines they produce are fixed by known atomic and nuclear rates, and the neutrino absorption cross section on 71 Ga is tightly constrained by the lifetime of 71 Ge, no simple explanation for the anomaly has been found. To check these calibration experiments, a dedicated experiment BEST was performed, utilizing a neutrino source of unprecedented intensity and a detector optimized to increase statistics while providing some information on counting rate as a function of distance from the source. The results BEST obtained are consistent with the earlier solar neutrino calibration experiments, and when combined with those measurements, yield a Ga anomaly with a significance of approximately 4𝜎, under conservative assumptions. But BEST found no evidence of distance dependence and thus no explicit indication of new physics. In this review we describe the extensive campaigns carried out by SAGE, GALLEX/GNO, and BEST to demonstrate the reliability and precision of their experimental procedures, including 71 Ge recovery, counting, and analysis. We also describe efforts to define uncertainties in the neutrino capture cross section, which now include estimates of effects at the ≲ 0.5% level such as radiative corrections and weak magnetism. With the results from BEST, an anomaly remains even if one retains only the transition to the 71 Ge ground state, whose strength is fixed by the known lifetime of 71 Ge. We then consider the new-physics solution most commonly suggested to resolve the Ga anomaly, oscillations into a sterile fourth neutrino, 𝜈 𝑒 → 𝜈 𝑠 . We find such a solution generates substantial tension with several null experiments, owing to the large mixing angle required. While this does not exclude such solutions – the sterile sector might include multiple neutrinos as well as new interactions – it shows the need for more experimental constraints, if we are to make progress in resolving the Ga and other low-energy neutrino anomalies. We conclude by consider the role future low-energy electron-capture sources could play in this effort.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2016

In Situ Data Infrastructure for Scientific Unit Testing Platform

Testing is a significant software development process for the management of software systems and scientific code. However, as the complexity of scientific codes increases, extra checks are needed to monitor impacts to dependent models and to verify system constraints. The software complexity also impedes the efforts of module developers and software engineers to rapidly develop and extend their code. Recently, we have developed an automatic methodology and prototype platform to facilitate scientific verification of individual functions within complex scientific codes. With this system, the scientific module builders are able to track variables conveniently in one module or track variables’ changes among different modules. In this paper, we present a procedure for automatic unit testing generation. For the interest of a general audience of this conference, we are emphasizing the technical details of integrating the In Situ data infrastructure into our platform. At the end of this paper, we have included an implementation of unit testing for the ACME Land Model (ALM) to demonstrate the usefulness and correctness of the platform. We have also used single- and multipoint checks to demonstrate the efficient variable tracking capability of this platform.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Characterizing and Improving the Thermal Stability of Organic Photovoltaics Based on Halogen-Rich Non-Fullerene Acceptors

In this work, the thermal stability of inverted, halogen-rich non-fullerene acceptor (NFA)-based organic photovoltaics (OPVs) with MoO x as the hole transporting layer is studied at temperatures up to 80°C. Over time, the power conversion efficiency shows a “check-mark” shaped thermal aging pattern, featuring an early decrease, followed by a long-term recovery. A high Cl concentration at the BHJ/MoO x interface in the thermally aged device is found using energy dispersive X-ray spectroscopy. X-Ray photoelectron spectroscopy shows that the MoO x is chlorinated after thermal aging. With bulk quantum efficiency analysis, we propose an explanation to the check-mark shaped pattern. Inserting a thin C 70 layer between the BHJ and MoO x suppresses the thermal degradation mechanisms, resulting in 3 orders of magnitude increase in device lifetime at 80°C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

The Effects of Localized Thermal Pressure on Equilibrium Magnetic Fields and Particle Drifts in The Inner Magnetosphere

Localized injections of hot anisotropic plasma sheet particles into the inner magnetosphere can significantly deform the quiet time dipole–like magnetic field and thus disturb electron and ion's drift paths and scattering rates. Although many details of magnetic field deformation can be inferred from empirical models, roles of different characteristics of injected plasma on the structure of such deformation require further investigation. In this study, we use the 2–D axisymmetric equilibrium model to calculate self–consistent magnetic field in force balance with a Gaussian thermal pressure distribution characterized by four input parameters: the ratio between plasma pressure and magnetic pressure ( β ) at the pressure peak β 0 , the radial location of the pressure peak L 0 , the width of the half peak pressure σ 0 , and the equatorial pressure anisotropy A e . Using the modeled magnetic field, we find that the magnetic field perturbation increases with increasing β 0 and decreasing σ 0 while the magnetic curvature perturbation increases with increasing A e , β 0 , and σ 0 and decreasing L 0 . For energetic particles the change of magnetic gradient drift motion is much greater than that of curvature drift motion. The magnetic dip structure formation requires a critical β value that increases with increasing σ 0 and decreasing L 0 . Despite the unavailability of observations in the existing literatures to check the condition of magnetic dip formation, such condition will be checked against observations as a future study. Lastly, we also use 3–D ring current–atmosphere interactions model with self–consistent magnetic field model to illustrate the effect of azimuthal pressure distribution, which is relevant to asymmetric ring current.

79 ASTRONOMY AND ASTROPHYSICS↗