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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Global temperature variations

Lower stratospheric temperature anomalies from MSU channel 4 were compared to ten years of radiosonde data to validate the satellite record, and the results were submitted for publication. Various assumed stratospheric weighting profiles were tested to determine whether the theoretical channel 4 weighting function had significant errors. It was found that the real weighting function is slightly sharper than the theoretical weighting function. We also found evidence for a step-function cooling in the radiosonde record during 1982, a period when two satellites were operating with no evidence of changes in the satellites. Lower tropospheric bulk temperature datasets continue to be sent to climate researchers and modelers, as well as to the Climate Analysis Center (CAC). The CAC is also implementing our MSU software to be able to do the MSU processing at their site. Drift in MSU channel 3 is being quantified and corrected to allow it to be used together with channel 2 for a better lowertropospheric gridpoint temperature product. A new global oceanic precipitation dataset has been produced from MSU channel 1 data, and compared to ten years of global raingage data.

Spencer, Roy W.↗
NASA NTRS1972

On the mapping associated with the complex representation of functions and processes.

The mapping between function spaces that is implied by the representation of a real 'bandpass' function by a complex 'low-pass' function is explicitly accepted. The discussion is extended to the representation of stationary random processes where the mapping is between spaces of random processes. This approach clarifies the nature of the complex representation, especially in the case of random processes and, in addition, derives the properties of the complex representation.-

Harger, R. O.↗
DOE OSTI2024

Reproducibility of real-time time-dependent density functional theory calculations of electronic stopping power in warm dense matter

Real-time time-dependent density functional theory (TDDFT) is widely considered to be the most accurate available method for calculating electronic stopping powers from first principles, but there have been relatively few assessments of the consistency of its predictions across different implementations. This problem is particularly acute in the warm dense regime, where computational costs are high and experimental validation is rare and resource intensive. We report a comprehensive cross-verification of stopping power calculations in conditions relevant to inertial confinement fusion conducted using four different TDDFT implementations. We find excellent agreement among both the post-processed stopping powers and relevant time-resolved quantities for alpha particles in warm dense hydrogen. We also analyze sensitivities to a wide range of methodological details, including the exchange-correlation model, pseudopotentials, initial conditions, observable from which the stopping power is extracted, averaging procedures, projectile trajectory, and finite-size effects. We show that among these details, pseudopotentials, trajectory-dependence, and finite-size effects have the strongest influence, and we discuss different strategies for controlling the latter two considerations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1972

Culling of redundant data

The inversion of a large data set, with it errors, is demonstrated and the tradeoff curve, or resolving power calculations, are discussed. Consideration is given to inverse problems of the earth, represented in the idealized form of a single scaler function of a single coordinate. The difference between the functional for the real earth and the functional for some model is formulated. A procedure is given for using the linear relationships between the differences in the data and the differences in the model as side conditions. Through a process of diagonalization a model is created that fits the data. The data are culled by accepting only those relative standard errors that are less than 100 percent.

Gilbert, F.↗
NASA NTRS1981

Experimental analysis of IMEP in a rotary combustion engine

A real time indicated mean effective pressure measurement system is described which is used to judge proposed improvements in cycle efficiency of a rotary combustion engine. This is the first self-contained instrument that is capable of making real time measurements of IMEP in a rotary engine. Previous methods used require data recording and later processing using a digital computer. The unique features of this instrumentation include its ability to measure IMEP on a cycle by cycle, real time basis and the elimination of the need to differentiate volume function in real time. Measurements at two engine speeds (2000 and 3000 rpm) and a full range of loads are presented, although the instrument was designed to operate to speeds of 9000 rpm.

Schock, H. J.↗
DOE OSTI2020

Noninteracting electrons in a prototypical one-dimensional sinusoidal potential

A prototypical model of a one-dimensional metallic monatomic solid containing noninteracting electrons is studied, where the argument of the cosine potential energy, periodic with the lattice, contains the first reciprocal lattice vector G 1 =2π/a, where a is the lattice constant. The time-independent Schrödinger equation can be written in reduced variables as a Mathieu equation for which numerically exact solutions for the band structure and wave functions are obtained. The band structure has band gaps that increase with increasing amplitude q of the cosine potential. In the extended-zone scheme, the energy gaps decrease with increasing index n of the Brillouin-zone boundary ka=nπ, where k is the crystal momentum of the electron. The wave functions of the band electron are derived for various combinations of k and q as complex combinations of the real Mathieu functions with even and odd parity, and the normalization factor is discussed. The wave functions at the bottoms and tops of the bands are found to be real or imaginary, respectively, corresponding to standing waves at these energies. Irrespective of the wave vector k within the first Brillouin zone, the electron probability density is found to be periodic with the lattice. The Fourier components of the wave functions are derived versus q, which reveal multiple reciprocal-lattice-vector components with variable amplitudes in the wave functions unless q = 0. The magnitudes of the Fourier components are found to decrease exponentially as a power of n for n~3 to 45 for ka = π/2 and q = 2, and a precise fit is obtained to the data. The probability densities and probability currents obtained from the wave functions are also discussed. The probability currents are found to be zero for crystal momenta at the tops and bottoms of the energy bands, because the wave functions for these crystal momenta are standing waves. To conlcude, the band structure is calculated from the central equation and compared to the numerically exact band structure.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1981

Experimental analysis of IMEP in a rotary combustion engine

This experimental work demonstrates the use of a NASA designed, real time Indicated Mean Effective Pressure (IMEP) measurement system which will be used to judge proposed improvements in cycle efficiency of a rotary combustion engine. This is the first self-contained instrument that is capable of making real time measurements of IMEP in a rotary engine. Previous methods used require data recording and later processing using a digital computer. The unique features of this instrumentation include its ability to measure IMEP on a cycle by cycle, real time basis and the elimination of the need to differentiate the volume function in real time. Measurements at two engine speeds (2000 and 3000 RPM) and a full range of loads are presented, although the instrument was designed to operate to speeds of 9000 RPM.

Schock, H. J.↗
DOE OSTI2022

Review: Real-space analyses of local dynamics in liquid using X-ray scattering

In this review, we advocate describing the liquid dynamics using the Van Hove correlation function, a temporal and spatial correlation function. Recent progress in X-ray optics and X-ray sources makes it possible to carry out inelastic and quasi-elastic x-ray scattering whose spectra can be converted into the dynamic correlation function in real space. We describe the basic concept of the Van Hove correlation function, how it is obtained from the X-ray scattering spectra using synchrotron X-rays and X-ray free electron lasers, and the atomic dynamics in water and aqueous salt solution.

Shinohara, Yuya↗
DOE OSTI2023

Linear-depth quantum circuits for loading Fourier approximations of arbitrary functions

Abstract The ability to efficiently load functions on quantum computers with high fidelity is essential for many quantum algorithms, including those for solving partial differential equations and Monte Carlo estimation. In this work, we introduce the Fourier series loader (FSL) method for preparing quantum states that exactly encode multi-dimensional Fourier series using linear-depth quantum circuits. Specifically, the FSL method prepares a (Dn)-qubit state encoding the 2 Dn -point uniform discretization of aD-dimensional function specified by aD-dimensional Fourier series. A free parameter,m, which must be less thann, determines the number of Fourier coefficients, 2 D ( m + 1 ) , used to represent the function. The FSL method uses a quantum circuit of depth at most 2 ( n − 2 ) + ⌈ log 2 ( n − m ) ⌉ + 2 D ( m + 1 ) + 2 − 2 D ( m + 1 ) , which is linear in the number of Fourier coefficients, and linear in the number of qubits (Dn) despite the fact that the loaded function’s discretization is over exponentially many (2 Dn ) points. The FSL circuit consists of at most D n + 2 D ( m + 1 ) + 1 − 1 single-qubit and D n ( n + 1 ) / 2 + 2 D ( m + 1 ) + 1 − 3 D ( m + 1 ) − 2 two-qubit gates; we present a classical compilation algorithm with runtime O ( 2 3 D ( m + 1 ) ) to determine the FSL circuit for a given Fourier series. The FSL method allows for the highly accurate loading of complex-valued functions that are well-approximated by a Fourier series with finitely many terms. We report results from noiseless quantum circuit simulations, illustrating the capability of the FSL method to load various continuous 1D functions, and a discontinuous 1D function, on 20 qubits with infidelities of less than 10 −6 and 10 −3 , respectively. We also demonstrate the practicality of the FSL method for near-term quantum computers by presenting experiments performed on the Quantinuum H1-1 and H1-2 trapped-ion quantum computers: we loaded a complex-valued function on 3 qubits with a fidelity of over 95 % , as well as various 1D real-valued functions on up to 6 qubits with classical fidelities ≈99%, and a 2D function on 10 qubits with a classical fidelity ≈94%.

Physics↗
DOE OSTI2025

Real-Space Quantification of Exciton Localization in Acene Crystals Using Wannier Function Decomposition

Here, we introduce the Wannier function decomposition of excitons (WFDX) method to quantify exciton localization in solids within the ab initio Bethe-Salpeter equation framework. By decomposing each Bloch exciton wave function into products of single-particle electron and hole maximally localized Wannier functions, this real-space approach provides well-defined orbital- and spatial-resolved measures of both Frenkel and charge-transfer excitons at low computational cost. We apply WFDX to excitons in acene crystals, quantifying how the number of rings, the exciton spin state, and the center-of-mass momentum affect spatial localization. Additionally, we show how this real-space representation reflects structural nonsymmorphic symmetries that are hidden in standard reciprocal-space descriptions. We demonstrate how the WFDX framework can be used to efficiently interpolate exciton expansion coefficients in reciprocal-space and outline how it may facilitate evaluation of observables involving position operators, highlighting its potential as a general tool for both analyzing and computing excitonic properties in solids.

Tao, Zui [University of California, Berkeley, CA (↗
NASA NTRS1986

Compensating Function for Antenna Pointing

Mean-square errors of antenna surface reduced. Compensating function helps point deformable antenna without inducing excessive pointing oscillations or deformations of reflecting surface. When implemented on computer in real time, function enables calculation of control signals in response to several sensor inputs: Function devised so signals control torque actuator of antenna-pointing mechanism in way to reduce or minimize squares of errors of antenna surface over long time.

Mingori, D. L.↗
NASA NTRS1973

Algebraic criteria for positive realness relative to the unit circle.

A definition is presented of the circle positive realness of real rational functions relative to the unit circle in the complex variable plane. The problem of testing this kind of positive reality is reduced to the algebraic problem of determining the distribution of zeros of a real polynomial with respect to and on the unit circle. Such reformulation of the problem avoids the search for explicit information about imaginary poles of rational functions. The stated algebraic problem is solved by applying the polynomial criteria of Marden (1966) and Jury (1964), and a completely recursive algorithm for circle positive realness is obtained.

Siljak, D. D.↗
DOE OSTI2021

Approximation of periodic Green's operator in real space using numerical integration and its use in fast Fourier transform-based micromechanical models

In this work, we propose an expression for the periodic first derivative of Green's function in real space. The proposed expression allows an alternative way of computing the periodic Green's operator based on periodically summing the free-space Green's operator in terms of an appropriate quadrature rule. We provide computational examples, which show the accuracy of the proposed approach, together with reduced spurious oscillations in the solution fields.

42 ENGINEERING↗
NASA NTRS1986

Constructing a working taxonomy of functional Ada software components for real-time embedded system applications

A major impediment to a systematic attack on Ada software reusability is the lack of an effective taxonomy for software component functions. The scope of all possible applications of Ada software is considered too great to allow the practical development of a working taxonomy. Instead, for the purposes herein, the scope of Ada software application is limited to device and subsystem control in real-time embedded systems. A functional approach is taken in constructing the taxonomy tree for identified Ada domain. The use of modular software functions as a starting point fits well with the object oriented programming philosophy of Ada. Examples of the types of functions represented within the working taxonomy are real time kernels, interrupt service routines, synchronization and message passing, data conversion, digital filtering and signal conditioning, and device control. The constructed taxonomy is proposed as a framework from which a need analysis can be performed to reveal voids in current Ada real-time embedded programming efforts for Space Station.

Wallace, Robert↗
NASA NTRS1988

On the design of the dissipative LQG-type controllers

The design of dissipative linear-quadratic-Gaussian-type compensators for positive real plants is considered. It is shown that if the noise covariance matrices (used as weighting matrices) satisfy certain conditions, the compensator has a strictly positive real transfer function matrix. The stability of the resulting closed-loop system is guaranteed regardless of modeling errors as long as the plant remains positive real. In view of this property, the controller is expected to be useful for vibration suppression in large, flexible space structures.

Lozano-Leal, R.↗
DOE OSTI2024

QRCODE: Massively parallelized real-time time-dependent density functional theory for periodic systems

We present a new software module, QRCODE (Quantum Research for Calculating Optically Driven Excitations), for massively parallelized real-time time-dependent density functional theory (RT-TDDFT) calculations of periodic systems in the open-source Qbox software package. Our approach utilizes a custom implementation of a fast Fourier transformation scheme that significantly reduces inter-node message passing interface (MPI) communication of the major computational kernel and shows impressive scaling up to 16,344 CPU cores. In addition to improving computational performance, QRCODE contains a suite of various time propagators for accurate RT-TDDFT calculations. As benchmark applications of QRCODE, we calculate the current density and optical absorption spectra of hexagonal boron nitride (h-BN) and photo-driven reaction dynamics of the ozone-oxygen reaction. We also calculate the second and higher harmonic generation of monolayer and multi-layer boron nitride structures as examples of large material systems. Our optimized implementation of RT-TDDFT in QRCODE enables large-scale calculations of real-time electron dynamics of chemical and material systems with enhanced computational performance and impressive scaling across several thousand CPU cores.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Kernel fusion in atomistic spin dynamics simulations on Nvidia GPUs using tensor core

In atomistic spin dynamics simulations, the time cost of constructing the space- and time-displaced pair correlation function in real space increases quadratically as the number of spins N, leading to significant computational effort. The GEMM subroutine can be adopted to accelerate the calculation of the dynamical spin-spin correlation function, but the computational cost of simulating large spin systems (>40000 spins) on CPUs remains expensive. In this work, we perform the simulation on the graphics processing unit (GPU), a hardware solution widely used as an accelerator for scientific computing and deep learning. Here we show that GPUs can accelerate the simulation up to 25-fold compared to multi-core CPUs when using the GEMM subroutine on both. To hide memory latency, we fuse the element-wise operation into the GEMM kernel using CUTLASS that can improve the performance by 26% ~ 33% compared to implementation based on cuBLAS. Furthermore, we perform the on-the-fly calculation in the epilogue of the GEMM subroutine to avoid saving intermediate results on global memory, which makes the large-scale atomistic spin dynamics simulation feasible and affordable.

97 MATHEMATICS AND COMPUTING↗