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At least 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

m-STATE INTERFERENCE WITH PARTIAL FREQUENCY REDISTRIBUTION FOR POLARIZED LINE FORMATION IN ARBITRARY MAGNETIC FIELDS

The present paper concerns the derivation of polarized partial frequency redistribution (PRD) matrices for scattering on a two-level atom in arbitrary magnetic fields. We generalize the classical theory of PRD that is applicable to a J = 0 {yields} 1 {yields} 0 scattering transition, to other types of atomic transitions with arbitrary quantum numbers. We take into account quantum interference between magnetic substates of a given upper J-state. The generalization proceeds in a phenomenological way, based on the direct analogy between the Kramers-Heisenberg scattering amplitude in quantum mechanics and the Jones scattering matrix in classical physics. The redistribution matrices derived from such a generalization of classical PRD theory are identical to those obtained from a summed perturbative quantum electrodynamic treatment of the atom-radiation interaction. Our semi-classical approach has the advantage that it is non-perturbative, more intuitive, and lends itself more easily to further generalization (like the inclusion of J-state interference in the PRD theory).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

A NUMERICAL TREATMENT OF ANISOTROPIC RADIATION FIELDS COUPLED WITH RELATIVISTIC RESISTIVE MAGNETOFLUIDS

We develop a numerical scheme for solving fully special relativistic, resistive radiation magnetohydrodynamics. Our code guarantees conservation of total mass, momentum, and energy. The radiation energy density and the radiation flux are consistently updated using the M-1 closure method, which can resolve an anisotropic radiation field, in contrast to the Eddington approximation, as well as the flux-limited diffusion approximation. For the resistive part, we adopt a simple form of Ohm's law. The advection terms are explicitly solved with an approximate Riemann solver, mainly the Harten-Lax-van Leer scheme; the HLLC and HLLD schemes are also solved for some tests. The source terms, which describe the gas-radiation interaction and the magnetic energy dissipation, are implicitly integrated, relaxing the Courant-Friedrichs-Lewy condition even in an optically thick regime or a large magnetic Reynolds number regime. Although we need to invert 4 Multiplication-Sign 4 matrices (for the gas-radiation interaction) and 3 Multiplication-Sign 3 matrices (for the magnetic energy dissipation) at each grid point for implicit integration, they are obtained analytically without preventing massive parallel computing. We show that our code gives reasonable outcomes in numerical tests for ideal magnetohydrodynamics, propagating radiation, and radiation hydrodynamics. We also applied our resistive code to the relativistic Petschek-type magnetic reconnection, revealing the reduction of the reconnection rate via radiation drag.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Including parameter dependence in the data and covariance for cosmological inference

The final step of most large-scale structure analyses involves the comparison of power spectra or correlation functions to theoretical models. It is clear that the theoretical models have parameter dependence, but frequently the measurements and the covariance matrix depend upon some of the parameters as well. We show that a very simple interpolation scheme from an unstructured mesh allows for an efficient way to include this parameter dependence self-consistently in the analysis at modest computational expense. We describe two schemes for covariance matrices. The scheme which uses the geometric structure of such matrices performs roughly twice as well as the simplest scheme, though both perform very well.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2010

Casimir potential of a compact object enclosed by a spherical cavity

We study the electromagnetic Casimir interaction of a compact object contained inside a closed cavity of another compact object. We express the interaction energy in terms of the objects' scattering matrices and translation matrices that relate the coordinate systems appropriate to each object. When the enclosing object is an otherwise empty metallic spherical shell, much larger than the internal object, and the two are sufficiently separated, the Casimir force can be expressed in terms of the static electric and magnetic multipole polarizabilities of the internal object, which is analogous to the Casimir-Polder result. Although it is not a simple power law, the dependence of the force on the separation of the object from the containing sphere is a universal function of its displacement from the center of the sphere, independent of other details of the object's electromagnetic response. Furthermore, we compute the exact Casimir force between two metallic spheres contained one inside the other at arbitrary separations. Finally, we combine our results with earlier work on the Casimir force between two spheres to obtain data on the leading-order correction to the proximity force approximation for two metallic spheres both outside and within one another.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Formulation of functional theory for pairing with particle number restoration

The restoration of particle number within energy density functional theory is analyzed. It is shown that the standard method based on configuration mixing leads to a functional of both the projected and nonprojected densities. As an alternative that might be advantageous for mass models, nuclear dynamics, and thermodynamics, we propose to formulate the functional in terms directly of the one-body and two-body density matrices of the state with good particle number. Our approach does not contain the pathologies recently observed when restoring the particle number in an energy density functional framework based on transition density matrices and can eventually be applied with functionals having arbitrary density dependencies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Efficient Unitary Designs from Random Sums and Permutations

A unitary k-design is an ensemble of unitaries that matches the first k moments of the Haar measure. In this work, we provide two efficient constructions of k-designs on n-qubits using new random matrix theory techniques. Our first construction is based on exponentiating sums of random i.i.d. Hermitian matrices and uses O(k2n2)-many gates. In the spirit of central limit theorems, we show that this random sum approximates the Gaussian Unitary Ensemble (GUE). We then show that the product of just two exponentiated GUE matrices is already approximately Haar random. Our second construction is based on products of exponentiated sums of random permutations and uses Õ(k poly (n)) many gates. The k dependence is optimal (up to polylogarithmic factors) and is inherited from the efficiency of existing k-wise independent permutations. Furthermore, replacing random permutations with quantum-secure pseudorandom permutations (PRPs), we also obtain a pseudorandom unitary (PRU) ensemble that is secure under nonadaptive queries. A central feature of both proofs is a new connection between the polynomial method in quantum query complexity and the large-dimension (N) expansion in random matrix theory. In particular, the first construction uses the polynomial method to control high moments of certain random matrix ensembles without requiring delicate Weingarten calculations. In doing so, we define and solve a moment problem on the unit circle, asking whether a finite number of equally weighted points can reproduce a given set of moments. In our second construction, the key step is to exhibit an orthonormal basis for irreducible representations of the partition algebra that has a low-degree large-N expansion. This allows us to show that the distinguishing probability is a low-degree rational polynomial of the dimension N.

algebra↗
DOE OSTI2021

Communication-Avoiding and Memory-Constrained Sparse Matrix-Matrix Multiplication at Extreme Scale

Sparse matrix-matrix multiplication (SpGEMM) is a widely used kernel in various graph, scientific computing and machine learning algorithms. In this paper, we consider SpGEMMs performed on hundreds of thousands of processors generating trillions of nonzeros in the output matrix. Distributed SpGEMM at this extreme scale faces two key challenges: (1) high communication cost and (2) inadequate memory to generate the output. Furthermore, we address these challenges with an integrated communication-avoiding and memory-constrained SpGEMM algorithm that scales to 262,144 cores (more than 1 million hardware threads) and can multiply sparse matrices of any size as long as inputs and a fraction of output fit in the aggregated memory. As we go from 16,384 cores to 262,144 cores on a Cray XC40 supercomputer, the new SpGEMM algorithm runs 10x faster when multiplying large-scale protein-similarity matrices.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

MPI-FAUN: An MPI-Based Framework for Alternating-Updating Nonnegative Matrix Factorization

Non-negative matrix factorization (NMF) is the problem of determining two non-negative low rank factors W and H, for the given input matrix A, such that A≈WH. NMF is a useful tool for many applications in different domains such as topic modeling in text mining, background separation in video analysis, and community detection in social networks. Despite its popularity in the data mining community, there is a lack of efficient parallel algorithms to solve the problem for big data sets. The main contribution of this work is a new, high-performance parallel computational framework for a broad class of NMF algorithms that iteratively solves alternating non-negative least squares (NLS) subproblems for W and H. It maintains the data and factor matrices in memory (distributed across processors), uses MPI for interprocessor communication, and, in the dense case, provably minimizes communication costs (under mild assumptions). The framework is flexible and able to leverage a variety of NMF and NLS algorithms, including Multiplicative Update, Hierarchical Alternating Least Squares, and Block Principal Pivoting. Our implementation allows us to benchmark and compare different algorithms on massive dense and sparse data matrices of size that spans from few hundreds of millions to billions. We demonstrate the scalability of our algorithm and compare it with baseline implementations, showing significant performance improvements. The code and the datasets used for conducting the experiments are available online.

2D↗
DOE OSTI2016

SU-G-TeP1-06: Fast GPU Framework for Four-Dimensional Monte Carlo in Adaptive Intensity Modulated Proton Therapy (IMPT) for Mobile Tumors

Purpose: To demonstrate the feasibility of fast Monte Carlo (MC) treatment planning and verification using four-dimensional CT (4DCT) for adaptive IMPT for lung cancer patients. Methods: A validated GPU MC code, gPMC, has been linked to the patient database at our institution and employed to compute the dose-influence matrices (Dij) on the planning CT (pCT). The pCT is an average of the respiratory motion of the patient. The Dijs and patient structures were fed to the optimizer to calculate a treatment plan. To validate the plan against motion, a 4D dose distribution averaged over the possible starting phases is calculated using the 4DCT and a model of the time structure of the delivered spot map. The dose is accumulated using vector maps created by a GPU-accelerated deformable image registration program (DIR) from each phase of the 4DCT to the reference phase using the B-spline method. Calculation of the Dij matrices and the DIR are performed on a cluster, with each field and vector map calculated in parallel. Results: The Dij production takes ∼3.5s per beamlet for 10e6 protons, depending on the energy and the CT size. Generating a plan with 4D simulation of 1000 spots in 4 fields takes approximately 1h. To test the framework, IMPT plans for 10 lung cancer patients were generated for validation. Differences between the planned and the delivered dose of 19% in dose to some organs at risk and 1.4/21.1% in target mean dose/homogeneity with respect to the plan were observed, suggesting potential for improvement if adaptation is considered. Conclusion: A fast MC treatment planning framework has been developed that allows reliable plan design and verification for mobile targets and adaptation of treatment plans. This will significantly impact treatments for lung tumors, as 4D-MC dose calculations can now become part of planning strategies.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2012

Burnup calculation by the method of first-flight collision probabilities using average chords prior to the first collision

A technique to calculate the burnup of materials of cells and fuel assemblies using the matrices of first-flight neutron collision probabilities rebuilt at a given burnup step is presented. A method to rebuild and correct first collision probability matrices using average chords prior to the first neutron collision, which are calculated with the help of geometric modules of constructed stochastic neutron trajectories, is described. Results of calculation of the infinite multiplication factor for elementary cells with a modified material composition compared to the reference one as well as calculation of material burnup in the cells and fuel assemblies of a VVER-1000 are presented.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2018

Development of the Scintillation Track Detector Based on Multichannel Photodetectors

— Matrices of silicon photomultipliers (SiPM) are promising multichannel photosensors for scintillation detectors. They can be used to construct tracks of relativistic particles inside detectors. The first detectors based on the direct contact of the SiPM matrices with the surface of the scintillation detector and with the application of Fresnel lenses are developed; promising variants of large detectors for neutrino astrophysics and geophysics are proposed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2011

Tolerating Correlated Failures for Generalized Cartesian Distributions via Bipartite Matching

Faults are expected to play an increasingly important role in how algorithms and applications are designed to run on future extreme-scale systems. A key ingredient of any approach to fault tolerance is effective support for fault tolerant data storage. A typical application execution consists of phases in which certain data structures are modified while others are read-only. Often, read-only data structures constitute a large fraction of total memory consumed. Fault tolerance for read-only data can be ensured through the use of checksums or parities, without resorting to expensive in-memory duplication or checkpointing to secondary storage. In this paper, we present a graph-matching approach to compute and store parity data for read-only matrices that are compatible with fault tolerant linear algebra (FTLA). Typical approaches only support blocked data distributions with each process holding one block with the parity located on additional processes. The matrices are assumed to be blocked by a cartesian grid with each block assigned to a process. We consider a generalized distribution in which each process can be assigned arbitrary blocks. We also account for the fact that multiple processes might be part of the same failure unit, say an SMP node. The flexibility enabled by our novel application of graph matching extends fault tolerance support to data distributions beyond those supported by prior work. We evaluate the matching implementations and cost to compute the parity and recover lost data, demonstrating the low overhead incurred by our approach.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Atmospheric and Soil Parameters in Five Urban Sites in Knoxville, Tennessee. 2024

This dataset, which contains ten csv files, reports several meteorological conditions such as temperature, wind speed, solar radiation, and net radiation measured in several urban parks in Knoxville, Tennessee, USA: Cumberland Estates Park (CEP), Socially Equal Energy Efficient Development (SEEED), West View Park (WVP), Victor Ashe Park (VAP), and West Hills Park (WHP). Also, hourly average of soil parameters such soil temperature, moisture, and matric potential measured in the five sites are included in this dataset. Air temperature, wind speed and direction, and solar radiation data were obtained from a METER ATMOS 41 All-in-One Weather Station (Pullman, Washington, USA). Soil moisture and temperature parameters were measured the METER Teros 12 probes embedded to a depth of 5 cm into the soil, while soil matric potential was measured with a METER Teros 21 probe. Incident and emitted radiation (shortwave and longwave) measurements were made using an Apogee (Logan, Utah, USA) net radiometer (Model SN-500-SS). This work is a part of a larger study which investigates the impact of soil moisture and plant evapotranspiration on ambient temperature and relative humidity in several city parks in Knoxville, Tennessee.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2011

Spectroscopic Approaches for Phosphorus Speciation in Soils and other Environmental Systems

In the past decades, environmental scientists have become increasingly involved in developing novel approaches for applying emerging spectroscopic techniques to complex environmental matrices. The objective of this review is to convey the most common chemical species of phosphorus reported for soils, sediments, model systems, and waste materials based on analyses by four spectroscopic techniques: X-ray absorption near-edge structure, nuclear magnetic resonance, Fourier transform infrared spectroscopy, and Raman spectroscopy. Unique information is provided by each technique at a level of specificity that depends in part on matrix complexity. The X-ray absorption near-edge structure and nuclear magnetic resonance techniques reveal inorganic and organic P species in intact environmental matrices or in chemical extracts, whereas the Fourier transform infrared and Raman techniques can provide more specific bonding information about mineral or adsorbed P species in model analogs of matrix components. The most common P species in soils and sediments as indicated by spectroscopy are hydroxyapatite and octacalcium phosphate minerals, phosphate adsorbed on Fe- and Al-oxides, pyrophosphates and polyphosphates, phosphate mono- and di-esters, and phosphonates. Continued advancements in spectroscopic methods should improve speciation-based models of P mobilization and transformations in the environment.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2011

Molecular Environmental Science Using Synchrotron Radiation: Chemistry and Physics of Waste Form Materials

Production of defense-related nuclear materials has generated large volumes of complex chemical wastes containing a mixture of radionuclides. The disposition of these wastes requires conversion of the liquid and solid-phase components into durable, solid forms suitable for long-term immobilization. Specially formulated glass compositions and ceramics such as pyrochlores and apatites are the main candidates for these wastes. An important consideration linked to the durability of waste-form materials is the local structure around the waste components. Equally important is the local structure of constituents of the glass and ceramic host matrix. Knowledge of the structure in the waste-form host matrices is essential, prior to and subsequent to waste incorporation, to evaluate and develop improved waste-form compositions based on scientific considerations. This project used the soft-x-ray synchrotron-radiation-based technique of near-edge x-ray-absorption fine structure (NEXAFS) as a unique method for investigating oxidation states and structures of low-Z elemental constituents forming the backbones of glass and ceramic host matrices for waste-form materials. In addition, light metal ions in ceramic hosts, such as titanium, are also ideal for investigation by NEXAFS in the soft-x-ray region. Thus, one of the main objectives was to understand outstanding issues in waste-form science via NEXAFS investigations and to translate this understanding into better waste-form materials, followed by eventual capability to investigate “real” waste-form materials by the same methodology. We conducted several detailed structural investigations of both pyrochlore ceramic and borosilicate-glass materials during the project and developed improved capabilities at Beamline 6.3.1 of the Advanced Light Source (ALS) to perform the studies.

36 MATERIALS SCIENCE↗
DOE OSTI2011

Addressing the Need for Independence in the CSE Model

Abstract Information system security risk, defined as the product of the monetary losses associated with security incidents and the probability that they occur, is a suitable decision criterion when considering different information system architectures. Risk assessment is the widely accepted process used to understand, quantify, and document the effects of undesirable events on organizational objectives so that risk management, continuity of operations planning, and contingency planning can be performed. One technique, the Cyberspace Security Econometrics System (CSES), is a methodology for estimating security costs to stakeholders as a function of possible risk postures. In earlier works, we presented a computational infrastructure that allows an analyst to estimate the security of a system in terms of the loss that each stakeholder stands to sustain, as a result of security breakdowns. Additional work has applied CSES to specific business cases. The current state-of-the-art of CSES addresses independent events. In typical usage, analysts create matrices that capture their expert opinion, and then use those matrices to quantify costs to stakeholders. This expansion generalizes CSES to the common real-world case where events may be dependent.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2010

Metrics for diagnosing negative mass and stiffness when uncoupling experimental and analytical substructures.

Recently, a new substructure coupling/uncoupling approach has been introduced, called Modal Constraints for Fixture and Subsystem (MCFS) [Allen, Mayes, & Bergman, Journal of Sound and Vibration, vol. 329, 2010]. This method reduces ill-conditioning by imposing constraints on substructure modal coordinates instead of the physical interface coordinates. The experimental substructure is tested in a free-free configuration, and the interface is exercised by attaching a flexible fixture. An analytical representation of the fixture is then used to subtract its effects in order to create an experimental model for the subcomponent of interest. However, it has been observed that indefinite mass and stiffness matrices can be obtained for the experimental substructure in some situations. This paper presents two simple metrics that can be used by the analyst to determine the cause of indefinite mass or stiffness matrices after substructure uncoupling. The metrics rank the experimental and fixture modes based upon their contribution to offending negative eigenvalues. Once the troublesome modes have been identified, they can be inspected and often reveal why the mass has become negative. Two examples are presented to demonstrate the metrics and to illustrate the physical phenomena that they reveal.

99 GENERAL AND MISCELLANEOUS↗