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At least 1,603 records · Page 89

All sources NASA NTRS DOE OSTI

DOE OSTI2022

SIERRA Multimechanics Module: Aria User Manual (V.5.10)

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ($Re$ < 1) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian-Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton’s method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic $h$-adaptivity and dynamic load balancing are some of Aria’s more advanced capabilities.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

SIERRA Multimechanics Module: Aria Thermal Theory Manual (V.5.10)

42 ENGINEERING↗

DOE OSTI2022

Far-from-equilibrium slow modes and momentum anisotropy in expanding plasma

The momentum distribution of particle production in heavy-ion collisions encodes information about thermalization processes in the early-stage quark-gluon plasma. We use kinetic theory to study the far-from-equilibrium evolution of an expanding plasma with an anisotropic momentumspace distribution. We identify slow and fast degrees of freedom in the far-from-equilibrium plasma from the evolution of moments of this distribution. At late times, the slow modes correspond to hydrodynamic degrees of freedom and are naturally gapped from the fast modes by the inverse of the relaxation time, $τ$$^{–1}_{R}$. At early times, however, there are an infinite number of slow modes with a gap inversely proportional to time, τ –1 . From the evolution of the slow modes we generalize the paradigm of the far-from-equilibrium attractor to vector and tensor components of the energy momentum tensor, and even to higher moments of the distribution function that are not part of the hydrodynamic evolution. We predict that initial-state momentum anisotropy decays slowly in the far-from-equilibrium phase and may persist until the relaxation time.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

SIERRA Multimechanics Module: Aria Thermal Theory Manual (V.4.56)

Aria is a Galerkin finite element based program for solving coupled-physics problems described by systems of PDEs and is capable of solving nonlinear, implicit, transient and direct-to-steady state problems in two and three dimensions on parallel architectures. The suite of physics currently supported by Aria includes thermal energy transport, species transport, and electrostatics as well as generalized scalar, vector and tensor transport equations. Additionally, Aria includes support for manufacturing process flows via the incompressible Navier-Stokes equations specialized to a low Reynolds number ( Re < 1) regime. Enhanced modeling support of manufacturing processing is made possible through use of either arbitrary Lagrangian-Eulerian (ALE) and level set based free and moving boundary tracking in conjunction with quasi-static nonlinear elastic solid mechanics for mesh control. Coupled physics problems are solved in several ways including fully-coupled Newton’s method with analytic or numerical sensitivities, fully-coupled Newton-Krylov methods and a loosely-coupled nonlinear iteration about subsets of the system that are solved using combinations of the aforementioned methods. Error estimation, uniform and dynamic h -adaptivity and dynamic load balancing are some of Aria’s more advanced capabilities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1974

Application of ERTS-1 data to the protection and management of New Jersey's coastal environment

The author has identified the following significant results. Rapid access to ERTS data was provided by NASA GSFC for the February 26, 1974 overpass of the New Jersey test site. Forty-seven hours following the overpass computer-compatible tapes were ready for processing at EarthSat. The finished product was ready just 60 hours following the overpass and delivered to the New Jersey Department of Environmental Protection. This operational demonstration has been successful in convincing NJDEP as to the worth of ERTS as an operational monitoring and enforcement tool of significant value to the State. An erosion/ accretion severity index has been developed for the New Jersey shore case study area. Computerized analysis techniques have been used for monitoring offshore waste disposal dumping locations, drift vectors, and dispersion rates in the New York Bight area. A computer shade print of the area was used to identify intensity levels of acid waste. A Litton intensity slice print was made to provide graphic presentation of dispersion characteristics and the dump extent. Continued monitoring will lead to the recommendation and justification of permanent dumping sites which pose no threat to water quality in nearshore environments.

Yunghans, R. S.↗

NASA NTRS1981

A decoupled control system for improved flight performance in wind shear

A fixed-base simulation study has been made to compare the approach and landing performance of a decoupled longitudinal control system and the velocity-vector control-wheel steering (VCWS) system that currently exists on the NASA Terminal Configured Vehicle (TCV). The decoupled control system employed constant prefilter and feedback gains to provide steady-state decoupling of flight-path angle, pitch angle, and forward velocity using symmetric spoilers, throttle, and elevator as active control elements. In severe wind shear, of the Kennedy-type, the decoupled control system improved both approach performance and touchdown performance even when the spoiler deflection was limited to 16 deg. On a 10-point rating scale, three research pilots rated the approach and landing task with decoupled controls as much as 3 to 4 increments better than the use of the VCWS system in severe winds

Miller, G. K., Jr.↗

NASA NTRS1985

Tracking and disturbance rejection of MIMO nonlinear systems with PI controller

The tracking and disturbance rejection of a class of MIMO nonlinear systems with linear proportional plus integral (PI) compensator is studied. Roughly speaking, it is shown that if the given nonlinear plant is exponentially stable and has a strictly increasing dc steady-state I/O map, then a simple PI compensator can be used to yield a stable unity-feedback closed-loop system which asymptotically tracks reference inputs that tend to constant vectors and asymptotically rejects disturbances that tend to constant vectors.

Desoer, C. A.↗

NASA NTRS1985

Tracking and disturbance rejection of MIMO nonlinear systems with PI controller

The tracking and disturbance rejection of a class of MIMO nonlinear systems with a linear proportional plus integral (PI) compensator is studied. Roughly speaking, it is shown that if the given nonlinear plant is exponentially stable and has a strictly increasing dc steady-state I/O map, then a simple PI compensator can be used to yield a stable unity-feedback closed-loop system which asymptotically tracks reference inputs that tend to constant vectors and asymptotically rejects disturbances that tend to constant vectors.

Desoer, C. A.↗

NASA NTRS1986

Simple numerical method for predicting steady compressible flows

A numerical method for solving the isenthalpic form of the governing equations for compressible viscous and inviscid flows was developed. The method was based on the concept of flux vector splitting in its implicit form. The method was tested on several demanding inviscid and viscous configurations. Two different forms of the implicit operator were investigated. The time marching to steady state was accelerated by the implementation of the multigrid procedure. Its various forms very effectively increased the rate of convergence of the present scheme. High quality steady state results were obtained in most of the test cases; these required only short computational times due to the relative efficiency of the basic method.

Vonlavante, Ernst↗

NASA NTRS1988

Computation of steady and unsteady vortex-dominated flows with shock waves

The unsteady Euler equations have been derived in the conservation form for the flow relative motion with respect to a rotating frame of reference. The resulting equations are solved by using a central-difference finite-volume scheme with four-state Runge-Kutta time stepping. For steady flow applications local time stepping is used, and for unsteady applications the minimum global time stepping is used. A three-dimensional fully vectorized computer program has been developed and applied to steady and unsteady maneuvering delta wings. The capability of the three-dimensional program has been demonstrated for a rigid sharp-edged delta wing undergoing uniform rolling in a conical flow and rolling oscillations in a locally conical flow.

Kandil, Osama A.↗

NASA NTRS1993

Polarization analysis of a balloon-borne solar magnetograph

The 10(exp -5) polarization specification for the Balloon-borne Vector Magnetograph (BVM) can be met. The 10(exp -5) specification is shown to be a limitation on the diattenuation and retardance along the chief ray path through the optical system, such that the magnitude of the polarization aberration piston term is constrained to be less than .5(10)(exp -5). Coating specification sheets are provided which will ensure that the polarization sensitivity of the BVM will be less than 10(exp -5). An optical design is provided for a vector magnetograph. Finally, to provide a concrete mathematical meaning for polarization sensitivity, the polarization aberration matrix is averaged of the exit pupil. This shows that the coupling between circular and linear states depends only on the magnitude of the polarization aberration piston term.

Reiley, Daniel J.↗

NASA NTRSDate not supplied

Exploring Flooded Fraction Prediction through Machine Learning Models Focusing on Medical Infrastructure in the Southeast U.S. Coastal Areas

Rising sea levels due to climate change increasingly threaten medical infrastructure through flooding. This study develops machine learning models to predict flood exposure for 11,508 medical facilities in the southeastern coastal regions of the United States by integrating datasets including meteorological, hydrological, topographic, and geological data, the Natural Risk Index, and historical flood records from NASA, HIFLD, and FEMA. Six regression models, namely Linear Regression, Support Vector Regression, Random Forest, k-Nearest Neighbors, XGBoost, and Artificial Neural Networks, are trained using 16 explanatory variables identified through literature review and correlation analysis. Data preprocessing employs the SMOGN for class imbalance and Winsorization for outliers. Model performance is evaluated using MAE, MSE, and RMSE, with Random Forest and XGBoost models achieving the highest performance (MSE of 2.58e-5 and 3.69e-5, respectively). This multifactorial approach allows the models to capture complex flood-influencing relationships, enhancing adaptability and performance across geographic regions. Future work focuses on expanding across the U.S. and developing a near real-time flood monitoring system.

Jihoon Chung↗

DOE OSTI2024

Measurement of the Photoproduction Cross-Section of f1(1285) in the Exclusive Reactions p¿ p'K±KSp± AT 7.5 < E¿ < 11.5 GeV with GlueX at Jefferson Lab

The f1(1285) meson is commonly understood to belong to the axial-vector nonet as the low-mass isoscalar partner to the f1(1420) but has been suggested as a candidate for a KK?+c.c molecule. A nearly mass-degenerate 0?+ state has been observed in ? p scattering that calls into question the established branching ratios of the f1(1285) decays. Recently, the differential cross-section for the photoproduction of f1(1285) was measured by the CLAS experiment and the results disagreed with theoretical predictions. Additionally, the CLAS experiment did not observe a mass-degenerate 0?+ state. We present the results of the first photoproduction cross-section measurement d?/dt of f1(1285) at 7.5 < E? < 11.5 GeV from the GlueX experiment at Thomas Jefferson National Accelerator Facility in the reactions ? p ? p?K?Ks?+ and ? p ? p?K+Ks??. We find that the production mechanism of f1(1285) is consistent with t-channel exchange. We also observe a difference in the differential cross-section of f1(1285) as a function of ?t as measured in the charge conjugated K?Ks?± decay modes that we hypothesize to be due to baryonic N? interference. The observed distributions of M(KK) and M(K?) are consistent with both a q ¯ q state and predictions for a KK?+c.c molecular state. Additionally, we find that the cross-section at low M(KK?) is dominated by the 1++ state.

Viducic, Tyler↗

NASA NTRS1983

A function space approach to state and model error estimation for elliptic systems

An approach is advanced for the concurrent estimation of the state and of the model errors of a system described by elliptic equations. The estimates are obtained by a deterministic least-squares approach that seeks to minimize a quadratic functional of the model errors, or equivalently, to find the vector of smallest norm subject to linear constraints in a suitably defined function space. The minimum norm solution can be obtained by solving either a Fredholm integral equation of the second kind for the case with continuously distributed data or a related matrix equation for the problem with discretely located measurements. Solution of either one of these equations is obtained in a batch-processing mode in which all of the data is processed simultaneously or, in certain restricted geometries, in a spatially scanning mode in which the data is processed recursively. After the methods for computation of the optimal estimates are developed, an analysis of the second-order statistics of the estimates and of the corresponding estimation error is conducted. Based on this analysis, explicit expressions for the mean-square estimation error associated with both the state and model error estimates are then developed.

Rodriguez, G.↗

NASA NTRS1983

A function space approach to state and model error estimation for elliptic systems

An approach is advanced for the concurrent estimation of the state and of the model errors of a system described by elliptic equations. The estimates are obtained by a deterministic least-squares approach that seeks to minimize a quadratic functional of the model errors, or equivalently, to find the vector of smallest norm subject to linear constraints in a suitably defined function space. The minimum norm solution can be obtained by solving either a Fredholm integral equation of the second kind for the case with continuously distributed data or a related matrix equation for the problem with discretely located measurements. Solution of either one of these equations is obtained in a batch-processing mode in which all of the data is processed simultaneously or, in certain restricted geometries, in a spatially scanning mode in which the data is processed recursively. After the methods for computation of the optimal esimates are developed, an analysis of the second-order statistics of the estimates and of the corresponding estimation error is conducted. Based on this analysis, explicit expressions for the mean-square estimation error associated with both the state and model error estimates are then developed. While this paper focuses on theoretical developments, applications arising in the area of large structure static shape determination are contained in a closely related paper (Rodriguez and Scheid, 1982).

Rodriguez, G.↗

DOE OSTI2014

Observations of strong ion-ion correlations in dense plasmas

Using simultaneous spectrally, angularly, and temporally resolved x-ray scattering, we measure the pronounced ion-ion correlation peak in a strongly coupled plasma. Laser-driven shock-compressed aluminum at ∼3× solid density is probed with high-energy photons at 17.9 keV created by molybdenum He-α emission in a laser-driven plasma source. The measured elastic scattering feature shows a well-pronounced correlation peak at a wave vector of k=4Å{sup −1}. The magnitude of this correlation peak cannot be described by standard plasma theories employing a linear screened Coulomb potential. Advanced models, including a strong short-range repulsion due to the inner structure of the aluminum ions are however in good agreement with the scattering data. These studies have demonstrated a new highly accurate diagnostic technique to directly measure the state of compression and the ion-ion correlations. We have since applied this new method in single-shot wave-number resolved S(k) measurements to characterize the physical properties of dense plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Bulky Phosphine Ligands Promote Palladium-Catalyzed Protodeboronation

The Suzuki-Miyaura cross-coupling reaction is plagued by protodeboronation, an undesirable side reaction with water that consumes the boronic acid derivatives required for the cross-coupling reaction. Meticulous mechanistic studies have previously established protodeboronation to be highly sensitive to the nature of the boronic reagent and reaction conditions. Particularly, the presence of bases, which are essential for the Suzuki-Miyaura coupling, is known to catalyze protodeboronation. However, protodeboronation catalyzed by palladium-phosphine complexes, the benchmark catalyst system for Suzuki-Miyaura cross-coupling, has been understudied compared to its base-catalyzed counterpart. Here, we demonstrate, using automated high-throughput experimentation, comprehensive computational mechanistic analyses and kinetic modeling, that protodeboronation is accelerated by palladium(II) complexes bound to bulky phosphine ligands. While sterically hindered ligands are typically used to facilitate difficult cross-couplings, these ligands can instead paradoxically impede cross-coupling product formation, requiring careful and judicious consideration when choosing ligands for Suzuki-Miyaura cross-couplings.

Ser, Cher Tian [University of Toronto, ON (Canada)↗

DOE OSTI2017

Dynamic mapping of conical intersection seams: A general method for incorporating the geometric phase in adiabatic dynamics in polyatomic systems

The incorporation of the geometric phase in single-state adiabatic dynamics near a conical intersection (CI) seam has so far been restricted to molecular systems with high symmetry or simple model Hamiltonians. This is due to the fact that the ab initio determined derivative coupling (DC) in a multi-dimensional space is not curl-free, thus making its line integral path dependent. In a recent work [C. L. Malbon et al. , J. Chem. Phys. 145, 234111 (2016)], we proposed a new and general approach based on an ab initio determined diabatic representation consisting of only two electronic states, in which the DC is completely removable, so that its line integral is path independent in the simply connected domains that exclude the CI seam. Then with the CIs included, the line integral of the single-valued DC can be used to construct the complex geometry-dependent phase needed to exactly eliminate the double-valued character of the real-valued adiabatic electronic wavefunction. This geometry-dependent phase gives rise to a vector potential which, when included in the adiabatic representation, rigorously accounts for the geometric phase in a system with an arbitrary locus of the CI seam and an arbitrary number of internal coordinates. Here, we demonstrate this approach in a three-dimensional treatment of the tunneling facilitated dissociation of the S 1 state of phenol, which is affected by a C s symmetry allowed but otherwise accidental seam of CI. Here, since the space is three-dimensional rather than two-dimensional, the seam is a curve rather than a point. The nodal structure of the ground state vibronic wavefunction is shown to map out the seam of CI.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗