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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,513 records · Page 84
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Operational Analytics Studies for ATLAS Distributed Computing: Data Popularity Forecast and Utilization of the WLCG Centers

Operational analytics is the direction of research related to the analysis of the current state of computing processes and the prediction of future states in order to anticipate imbalances and take timely measures to stabilize a complex system. There are two relevant areas in ATLAS Distributed Computing that are currently the focus of studies: user physics analysis including the forecast of popularity of data samples among users, and evaluating WLCG centers for their readiness to process user analysis payloads. Studying these areas is challenging due to the complexity involved, as it requires a comprehensive understanding of numerous boundary conditions typically found in large-scale distributed computing infrastructures. Forecasts of data popularity are problematic without the categorization of user tasks by their types (data transformation or physics analysis), which do not always appear on the surface but may induce noise, which introduces significant distortions for predictive analysis. Evaluating the WLCG resources by their analysis workloads is also a challenging task as it is necessary to find a balance between the workload of the resource, its performance, the waiting time for jobs on it, as well as the volume of jobs that it processes. This is especially difficult in a heterogeneous computing environment, where legacy resources are used along with modern high-performance machines. We will look at these areas of research in detail and discuss what tools and methods are used in our work, demonstrating results already obtained.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2026

Mapping Critical Vulnerabilities in Natural Gas Pipeline Systems through Network Centrality and GIS Analytics

Natural gas plays a central role in the US energy landscape, providing 43% of electricity generation in 2023. Its exclusive recovery ability on pipelines for transmission underscores the importance of understanding the disruption recovery ability of this infrastructure. This study employs a network-based analytical framework integrating geographic information systems (GIS) with multiple centrality measures—betweenness, closeness, degree, and eigenvector—to pinpoint key segments and evaluate the structural robustness of the national pipeline network. Pipelines are grouped by System ID and Operator ID to capture variations across organizational and physical structures. The analysis reveals uneven patterns of network influence, where certain pipelines function as critical connectors or dominant hubs. Spatial mapping highlights geographic dependencies and potential chokepoints, offering a clear view of where targeted risk prevention measures would be most effective. The findings provide practical guidance for prioritizing maintenance, enhancing system robustness, and mitigating risks to ensure a stable and secure energy supply. Future research will expand the framework to incorporate dynamic operational data and real-time network behavior.

Peterson, Steven [ORNL] (ORCID:0000000287672998)↗
DOE OSTI2013

Analytic model of electromagnetic fields around a plasma bubble in the blow-out regime

An analytic model of the electric and magnetic fields surrounding the nonlinear plasma 'bubble' formed around the high-current electron bunch in a plasma wakefield accelerator is developed. The model, justified by the results of particle-in-cell simulations, accurately captures the thin high-density plasma sheath and extended return current layer surrounding the bubble. The resulting global fields inside and outside the bubble are used to investigate electron self-injection in a plasma with a smooth density gradient. It is shown that accurate description of the current/density sheaths is crucial for quantitative description of self-injection.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Analytic expression for poloidal flow velocity in the banana regime

The poloidal flow velocity in the banana regime is calculated by improving the l = 1 approximation for the Fokker-Planck collision operator [M. Taguchi, Plasma Phys. Controlled Fusion 30, 1897 (1988)]. The obtained analytic expression for this flow, which can be used for general axisymmetric toroidal plasmas, agrees quite well with the recently calculated numerical results by Parker and Catto [Plasma Phys. Controlled Fusion 54, 085011 (2012)] in the full range of aspect ratio.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Data driven analytic continuation for one particle spectral functions

In this proceeding, an idea is outlined suggesting a generic treatment on any type of input data for a numerical analytic continuation problem, which is needed when dynamical information is to be extracted from a calculationally convenient one particle imaginary time Green function. The quality of the resulting spectral function will rely only on the data to be treated, viz, data-driven. This is different from the Maximum Entropy or the Stochastic method which relies on an entropy term to guide convergence of the resulting spectral function.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Re-appraisal and extension of the Gratton-Vargas two-dimensional analytical snowplow model of plasma focus evolution in the context of contemporary research

Recent resurgence of interest in applications of dense plasma focus and doubts about the conventional view of dense plasma focus as a purely irrotational compressive flow have re-opened questions concerning device optimization. In this context, this paper re-appraises and extends the analytical snowplow model of plasma focus sheath evolution developed by F. Gratton and J. M. Vargas [Energy Storage, Compression and Switching, edited by V. Nardi, H. Sahlin, and W. H. Bostick (Plenum, New York, 1983), Vol. 2, p. 353)] and shows its relevance to contemporary research. The Gratton-Vargas (GV) model enables construction of a special orthogonal coordinate system in which the plasma flow problem can be simplified and a model of sheath structure can be formulated. The Lawrenceville Plasma Physics (LPP) plasma focus facility, which reports neutron yield better than global scaling law, is shown to be operating closer to an optimum operating point of the GV model as compared with PF-1000.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Analytic cubic and quartic force fields using density-functional theory

We present the first analytic implementation of cubic and quartic force constants at the level of Kohn–Sham density-functional theory. The implementation is based on an open-ended formalism for the evaluation of energy derivatives in an atomic-orbital basis. The implementation relies on the availability of open-ended codes for evaluation of one- and two-electron integrals differentiated with respect to nuclear displacements as well as automatic differentiation of the exchange–correlation kernels. We use generalized second-order vibrational perturbation theory to calculate the fundamental frequencies of methane, ethane, benzene, and aniline, comparing B3LYP, BLYP, and Hartree–Fock results. The Hartree–Fock anharmonic corrections agree well with the B3LYP corrections when calculated at the B3LYP geometry and from B3LYP normal coordinates, suggesting that the inclusion of electron correlation is not essential for the reliable calculation of cubic and quartic force constants.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

An analytical model for analyzing the current-voltage characteristics of bulk heterojunction organic solar cells

An analytical model for analyzing the current-voltage (J-V) characteristics of bulk heterojunction (BHJ) organic solar cells is developed by incorporating exponential photon absorption, dissociation efficiency of bound electron-hole pairs (EHPs), carrier trapping, and carrier drift and diffusion in the photon absorption layer. Modified Braun's model is used to compute the electric field-dependent dissociation efficiency of the bound EHPs. The charge carrier concentrations and hence the photocurrent are calculated by solving the carrier continuity equation for both holes and electrons in the organic layer. The overall load current is calculated considering the actual solar spectrum and voltage dependent forward dark current. The model is verified by published experimental results. The efficiency of the P3HT:PCBM based solar cells critically depends on the dissociation of bound EHPs. On the other hand, cells made of a blend of the conjugated polymer (PCDTBT) with the soluble fullerene derivative (PCBM) show nearly unity dissociation efficiency, and their cell efficiency strongly depends on the charge collection efficiency. The effects of carrier lifetimes on the performance of PCDTBT solar cells have also been studied. The model is also used to investigate the effect of titanium oxide (TiO{sub x}) layer (at the back contact) on the J-V characteristics of PCDTBT solar cells. The results of this paper indicate that improvement of charge carrier transport in PCDTBT:PCBM blend and dissociation of bound EHPs in P3HT:PCBM blend are extremely important to increase the power conversion efficiency of the respective BHJ solar cells.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Analytical evaluation of thermal conductance and heat capacities of one-dimensional material systems

We theoretically predict some thermal properties versus temperature dependence of one dimensional (1D) material nanowire systems. A known method is used to provide an efficient and reliable analytical procedure for wide temperature range. Predicted formulas are expressed in terms of Bloch-Grüneisen functions and Debye functions. Computing results has proved that the expressions are in excellent agreement with the results reported in the literature even if it is in very low dimension limits of nanowire systems. Therefore the calculation method is a fully predictive approach to calculate thermal conductivity and heat capacities of nanowire material systems.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Disaster risk management in prospect mining area Blitar district, East Java, using microtremor analysis and ANP (analytical network processing) approach

Indonesia has a wealth of natural assets is so large to be managed and utilized, either from its own local government and local communities, especially in the mining sector. However, mining activities can change the state of the surface layer of the earth that have a high impact disaster risk. This could threaten the safety and disrupt human life, environmental damage, loss of property, and the psychological impact, sulking to the rule of law no 24 of 2007. That's why we strive to manage and minimize the risk of mine disasters in the region, how to use the method of calculation of Amplification Factor (AF) from the analysis based microtremor sulking Kanai and Nakamura, and decision systems were tested by analysis of ANP. Based on the amplification factor and Analytical Network Processing (ANP) obtained, some points showed instability in the surface layer of a mining area include the site of the TP-7, TP-8, TP-9, TP-10, (Birowo2). If in terms of structure, location indicated unstable due to have a sloping surface layer, resulting in the occurrence of landslides and earthquake risk is high. In the meantime, other areas of the mine site can be said to be a stable area.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Local CC2 response method based on the Laplace transform: Analytic energy gradients for ground and excited states

A multistate local CC2 response method for the calculation of analytic energy gradients with respect to nuclear displacements is presented for ground and electronically excited states. The gradient enables the search for equilibrium geometries of extended molecular systems. Laplace transform is used to partition the eigenvalue problem in order to obtain an effective singles eigenvalue problem and adaptive, state-specific local approximations. This leads to an approximation in the energy Lagrangian, which however is shown (by comparison with the corresponding gradient method without Laplace transform) to be of no concern for geometry optimizations. The accuracy of the local approximation is tested and the efficiency of the new code is demonstrated by application calculations devoted to a photocatalytic decarboxylation process of present interest.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Analytic studies of dispersive properties of shear Alfvén and acoustic wave spectra in tokamaks

The properties of the low frequency shear Alfvén and acoustic wave spectra in toroidal geometry are examined analytically and numerically considering wave particle interactions with magnetically trapped and circulating particles, using the theoretical model described in [I. Chavdarovski and F. Zonca, Plasma Phys. Controlled Fusion 51, 115001 (2009)] and following the framework of the generalized fishbone-like dispersion relation. Effects of trapped particles as well as diamagnetic effects on the frequencies and damping rates of the beta-induced Alfvén eigenmodes, kinetic ballooning modes and beta-induced Alfvén-acoustic eigenmodes are discussed and shown to be crucial to give a proper assessment of mode structure and stability conditions. Present results also demonstrate the mutual coupling of these various branches and suggest that frequency as well as mode polarization are crucial for their identification on the basis of experimental evidence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Scattering of electromagnetic waves by vortex density structures associated with interchange instability: Analytical and large scale plasma simulation results

The presence of plasma turbulence can strongly influence propagation properties of electromagnetic signals used for surveillance and communication. In particular, we are interested in the generation of low frequency plasma density irregularities in the form of coherent vortex structures. Interchange or flute type density irregularities in magnetized plasma are associated with Rayleigh-Taylor type instability. These types of density irregularities play an important role in refraction and scattering of high frequency electromagnetic signals propagating in the earth ionosphere, in high energy density physics, and in many other applications. We will discuss scattering of high frequency electromagnetic waves on low frequency density irregularities due to the presence of vortex density structures associated with interchange instability. We will also present particle-in-cell simulation results of electromagnetic scattering on vortex type density structures using the large scale plasma code LSP and compare them with analytical results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Analytical Morse/long-Range model potential and predicted infrared and microwave spectra for a symmetric top-atom dimer: A case study of CH{sub 3}F–He

Four-dimensional ab initio intermolecular potential energy surfaces (PESs) for CH{sub 3}F–He that explicitly incorporates dependence on the Q{sub 3} stretching normal mode of the CH{sub 3}F molecule and are parametrically dependent on the other averaged intramolecular coordinates have been calculated. Analytical three-dimensional PESs for v{sub 3}(CH{sub 3}F) = 0 and 1 are obtained by least-squares fitting the vibrationally averaged potentials to the Morse/Long-Range potential function form. With the 3D PESs, we employ Lanczos algorithm to calculate rovibrational levels of the dimer system. Following some re-assignments, the predicted transition frequencies are in good agreement with experimental microwave data for ortho-CH{sub 3}F, with the root-mean-square deviation of 0.042 cm{sup −1}. We then provide the first prediction of the infrared and microwave spectra for the para-CH{sub 3}F–He dimer. The calculated infrared band origin shifts associated with the ν{sub 3} fundamental of CH{sub 3}F are 0.039 and 0.069 cm{sup −1} for para-CH{sub 3}F–He and ortho-CH{sub 3}F–He, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

A semi-analytic power balance model for low (L) to high (H) mode transition power threshold

We present a semi-analytic model for low (L) to high (H) mode transition power threshold (P{sub th}). Two main assumptions are made in our study. First, high poloidal mode number drift resistive ballooning modes (high-m DRBM) are assumed to be the dominant turbulence driver in a narrow edge region near to last closed flux surface. Second, the pre-transition edge profile and turbulent diffusivity at the narrow edge region pertain to turbulent equipartition. An edge power balance relation is derived by calculating the dissipated power flux through both turbulent conduction and convection, and radiation in the edge region. P{sub th} is obtained by imposing the turbulence quench rule due to sheared E × B rotation. Evaluation of P{sub th} shows a good agreement with experimental results in existing machines. Increase of P{sub th} at low density (i.e., the existence of roll-over density in P{sub th} vs. density) is shown to originate from the longer scale length of the density profile than that of the temperature profile.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Three-dimensional magnetic optimization of accelerator magnets using an analytic strip model

The end design is a critical step in the design of superconducting accelerator magnets. First, the strain energy of the conductors must be minimized, which can be achieved using differential geometry. The end design also requires an optimization of the magnetic field homogeneity. A mechanical and magnetic model for the conductors, using developable strips, is described in this paper. This model can be applied to superconducting Rutherford cables, and it is particularly suitable for High Temperature Superconducting tapes. The great advantage of this approach is analytic simplifications in the field computation, allowing for very fast and accurate computations, which save a considerable computational time during the optimization process. Some 3D designs for dipoles are finally proposed, and it is shown that the harmonic integrals can be easily optimized using this model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗