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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 109 records · Page 6

A Systematic Comparison for Consistent Scenario Development Using Microscopic Simulation Software

This study aims to explore a methodology that enables the development of consistent traffic micro simulation for emerging traffic and vehicle control technologies for improved mobility and energy efficiency across different modeling platforms. Researchers might study the same application on different platforms and have the need to benchmark across platforms. However, there lacks a systematic study on simulation software comparison, especially for emerging mobility and energy efficiency applications. For this, a systematic scenario development and evaluation approach is presented and demonstrated to compare scenarios generated in different traffic microsimulation platforms. Network-level and vehicle-level trip performance results of the traffic scenario are evaluated in three microscopic simulation platforms - VISSIM, AIMSUN, and SUMO. The results indicate that the network-level performance is consistent among the three software suites except when the demand is high, where the energy consumption performance varies.

Saroj, Abhilasha [ORNL] (ORCID:0000000191178063)

VerifyIO: Verifying Adherence to Parallel I/O Consistency Semantics

VerifyIO is a tool designed for verifying I/O consistency semantics in High-Performance Computing (HPC) applications. It addresses the challenges of ensuring correctness and portability across different I/O consistency models, such as POSIX, Commit, Session, and MPI-IO. By analyzing execution traces, detecting conflicts, and verifying synchronization adherence, VerifyIO provides actionable insights for both application developers and I/O library designers.

Wang, Chen [Lawrence Livermore National Laboratory

Simple self-consistent method for excited states in density functional theory to characterize defect-derived behavior in wide-band-gap-based microelectronic materials

This final report summarizes the results of the Laboratory Direct Research and Development (LDRD) Project Number 229740. Wide band gap semiconductors such as gallium nitride (GaN) have features highly desirable for multiple mission electronic applications. Realization of their potential requires atomic-scale understanding of electronic behavior. The principal experimental tools for electronically probing defects in GaN are chemically undifferentiating and lack a practical theoretical counterpart needed to identify and characterize specific defects. This project investigated whether a simple idea for modeling defect excited states and their associated photoluminescence (PL) energies is viable, as a path to accelerate the understanding of defect behavior and gain valuable insights into engineering new electronic materials and devices. The research implemented a non-self-consistent total-energy evaluation of a Koopmans-type estimation of an excited electronic state energy in density functional theory (DFT) calculations, and proceeded to design, implement, and assess a self-consistent method for computing excited states based upon an OCcupation-Constrained-DFT (occ-DFT). The occ-DFT was verified in test calculations of defect excited states and validated against well-characterized PL data for 3d transition metal defects in GaN. The method proved stable and robust in computing excited states and gave accurate predictions compared to experimental PL data. The combined ground state/excited-state capability proved capable of chemically differentiating defect species in GaN. In application to 3d dopants in GaN, we reinterpreted extensive experimental literature, proposed new defects as prospective candidates for use in quantum information applications, and outlined design strategies to create and exploit these potentially useful functional defects in GaN.

36 MATERIALS SCIENCE

Consistent $\overline{ν}$ evaluation for minor U isotopes with $\tt{CGMF}$

Following several successful prompt $\overline{ν}$ evaluations using $\tt{CGMF}$, including consistent evaluations for minor Pu isotopes, we detail in this report our efforts to perform a consistent $\overline{ν}$ evaluation for minor U isotopes during FY25. Although we have not yet produced a finalized evaluation, we present the progress that we have made towards such an evaluation for 232,233,234,236,237,239 U prompt $\overline{ν}$. Our milestone explicitly calls out evaluations for 233 U, 234 U, and 236 U, however, to better constrain the model with reliable experimental $\overline{ν}$ data, we also include 235 U and 238 U in the evaluation procedure. Then, we additionally produce evaluations for 232 U, 237 U and 239 U $\overline{ν}$ as a byproduct. Elsewhere, we will report our efforts on a stand-alone 233 U $\overline{ν}$ evaluation. This report is organized in the following manner. In Sec. 2, we briefly outline the updates to CGMF that were needed to be able to calculate all of these minor U fission reactions. The experimental data overview is given in Sec. 3. The evaluation methodology and results are presented in Secs. 4 and 5, respectively. Finally, we conclude and outline work for FY26 in Sec. 6.

07 ISOTOPE AND RADIATION SOURCES

Role of Computational Parameters on Predicting Self-Consistent Residual Stress and Distortion during Wire Arc Additive Manufacturing

Production of three-dimensional metallic parts through integration of an articulated robot and gas metal arc welding, also known as wire arc additive manufacturing (WAAM), can produce large-scale components with moderate geometrical complexity. This technology is particularly appealing due to its high deposition rates, scalability, and cost-effective feedstock compared to other AM processes. Despite its advantages, WAAM adoption is hindered by challenges in ensuring geometric conformity without extensive distortion, defect-free structures, and consistent mechanical properties. Finite element analysis (FEA) is often used to address the challenge of geometrical conformity. As the size of parts increases, the best practices for mesh size and temporal resolution known in the literature become computationally unviable. This research examined the effects of mesh and time-step resolutions during transient FEA of a large-scale (248 layers) metallic part. The impact of computational parameters on the thermal history, displacement, and residual stress distributions were evaluated. The results showed that predicted distortion was consistent across resolutions, while time-step length significantly affected predicted thermal history, and mesh size influenced residual stress distributions. To investigate this relationship further, directionally biased meshes were considered and analyzed. The results indicated that increasing mesh resolution perpendicular to the welding path yielded stress predictions that aligned closely with higher-resolution models while offering substantial computational savings. In conclusion, the significances of this research are related to verification and validation of WAAM models for widespread industrial adoption and pragmatic guidelines for optimizing computation parameters for balancing computational efficiency and predictive accuracy of residual stress and distortion.

Solsbee, Brandon [Univ. of Tennessee, Knoxville, T

Theoretical consistency test of steam transport properties

The kinetic theory of polyatomic gases is used to test the mutual consistency of the thermal conductivity, viscosity, and specific heat of low-pressure steam from 100 to 700 C. No inconsistency exists within the cited tolerances of the skeleton tables recommended by the Sixth International Conference on the Properties of Steam, but there is some basis for suspecting that the high-temperature thermal conductivity values are slightly low. Methods for tightening the consistency bounds are suggested.

Thoen-Hellemans, J.

Design representation and consistency maintenance needs

Two major issues of data base support for large-scale engineering design are considered. The first deals with the need to support multidisciplinary, hierarchical and interactive design without imposing a priori constraints on the sequence of design decisions. An abstract logical model of the data base capable of such support is outlined. The second issue deals with the role the data base must play in maintaining integrity and consistency among the data representing the emerging design. A tentative model implementing a number of consistency management functions is presented.

Eastman, C. M.

Variationally consistent approximation scheme for charge transfer

The author has developed a technique for testing various charge-transfer approximation schemes for consistency with the requirements of the Kohn variational principle for the amplitude to guarantee that the amplitude is correct to second order in the scattering wave functions. Applied to Born-type approximations for charge transfer it allows the selection of particular groups of first-, second-, and higher-Born-type terms that obey the consistency requirement, and hence yield more reliable approximation to the amplitude.

Halpern, A. M.

On the existence, uniqueness, and asymptotic normality of a consistent solution of the likelihood equations for nonidentically distributed observations: Applications to missing data problems

A general theorem is given which establishes the existence and uniqueness of a consistent solution of the likelihood equations given a sequence of independent random vectors whose distributions are not identical but have the same parameter set. In addition, it is shown that the consistent solution is a MLE and that it is asymptotically normal and efficient. Two applications are discussed: one in which independent observations of a normal random vector have missing components, and the other in which the parameters in a mixture from an exponential family are estimated using independent homogeneous sample blocks of different sizes.

Peters, C.

DEKFIS user's guide: Discrete Extended Kalman Filter/Smoother program for aircraft and rotorcraft data consistency

The computer program DEKFIS (discrete extended Kalman filter/smoother), formulated for aircraft and helicopter state estimation and data consistency, is described. DEKFIS is set up to pre-process raw test data by removing biases, correcting scale factor errors and providing consistency with the aircraft inertial kinematic equations. The program implements an extended Kalman filter/smoother using the Friedland-Duffy formulation.

Source record

The self-consistent calculation of pseudo-molecule energy levels, construction of energy level correlation diagrams and an automated computation system for SCF-X(Alpha)-SW calculations

The self consistent calculation of the electronic energy levels of noble gas pseudomolecules formed when a metal surface is bombarded by noble gas ions is discussed along with the construction of energy level correlation diagrams as a function of interatomic spacing. The self consistent field x alpha scattered wave (SCF-Xalpha-SW) method is utilized. Preliminary results on the Ne-Mg system are given. An interactive x alpha programming system, implemented on the LeRC IBM 370 computer, is described in detail. This automated system makes use of special PROCDEFS (procedure definitions) to minimize the data to be entered manually at a remote terminal. Listings of the special PROCDEFS and of typical input data are given.

Schlosser, H.

Finite elements based on consistently assumed stresses and displacements

Finite element stiffness matrices are derived using an extended Hellinger-Reissner principle in which internal displacements are added to serve as Lagrange multipliers to introduce the equilibrium constraint in each element. In a consistent formulation the assumed stresses are initially unconstrained and complete polynomials and the total displacements are also complete such that the corresponding strains are complete in the same order as the stresses. Several examples indicate that resulting properties for elements constructed by this consistent formulation are ideal and are less sensitive to distortions of element geometries. The method has been used to find the optimal stress terms for plane elements, 3-D solids, axisymmetric solids, and plate bending elements.

Pian, T. H. H.

A self-consistent linear-mode model of stellar convection

A normal-mode expansion of the linearized fluid equations in terms of small subset of spherical harmonics can provide a foundation for a physically motivated, self-consistent description of a solar-type convection zone. In the absence of dissipation, a second-order differential equation governs the radial dependence of the modes, so that interpretation of the effects on convection quantities of the normal-form 'potential well' is straightforward. The philosophy is quite different from the more recent work of Narasimha and Antia (1982): all envelopes presented here differ substantially from MLT envelopes, and therefore, from theirs, which are constructed to be consistent with MLT. The amplitude of all modes is set by a Kelvin-Helmholtz-('shear'-) instability argument unrelated to solar observations, with the result that the convection description may be considered to arise from 'first-hueristic-principles'. The thermodynamics modelled vaguely resemble the sun's, and more vigorously convective envelopes show some phenomena qualitatively like solar observations (e.g., atmospheric velocity spectra).

Macauslan, J.

Self-consistent Goedel cosmology with spin-density in Riemann-Cartan spacetime

It is shown that the Goedel metric (GM) for a rotating cosmology is compatible with the self-consistent formulation of the Einstein-Cartan (EC) metric-torsion theory for a spinning fluid. The proposed calculation shows, within the context of an EC theory, how to self-consistently incorporate a perfect fluid with spin density into the GM without changing the metric. It is found that the only changes produced in the GM parameters in connection with a spinning fluid are that the cosmological constant becomes slightly more negative and the sense of rotation is flipped 180 deg.

Smalley, L. L.

Consistency relations for spinning matter in gravitational theories

The consistency equations for a charged spinning fluid in the Einstein-Cartan theory are examined. The hydrodynamic laws associated with the theory of Ray and Smalley (1982, 1983) and the electromagnetic extension of Amorim (1984, 1985) are studied. The derivation of the consistency equation from the Euler equations for an improved perfect-fluid energy-momentum tensor is described.

Ray, John R.

Turbulent MHD transport coefficients - An attempt at self-consistency

In this paper, some multiple scale perturbation calculations of turbulent MHD transport coefficients begun in earlier papers are first completed. These generalize 'alpha effect' calculations by treating the velocity field and magnetic field on the same footing. Then the problem of rendering such calculations self-consistent is addressed, generalizing an eddy-viscosity hypothesis similar to that of Heisenberg for the Navier-Stokes case. The method also borrows from Kraichnan's direct interaction approximation. The output is a set of integral equations relating the spectra and the turbulent transport coefficients. Previous 'alpha effect' and 'beta effect' coefficients emerge as limiting cases. A treatment of the inertial range can also be given, consistent with a -5/3 energy spectrum power law. In the Navier-Stokes limit, a value of 1.72 is extracted for the Kolmogorov constant. Further applications to MHD are possible.

Chen, H.

Consistent Data Distribution Over Optical Links

Fiber optics combined with IDE's provide consistent data communication between fault-tolerant computers. Data-transmission-checking system designed to provide consistent and reliable data communications for fault-tolerant and highly reliable computers. New technique performs variant of algorithm for fault-tolerant computers and uses fiber optics and independent decision elements (IDE's) to require fewer processors and fewer transmissions of messages. Enables fault-tolerant computers operating at different levels of redundancy to communicate with each other over triply redundant bus. Level of redundancy limited only by maximum number of wavelengths active on bus.

Palumbo, Daniel L.