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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 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Improved algorithms for mapping pipelined and parallel computations

Recent work on the problem of mapping pipelined or parallel computations onto linear array, shared memory, and host-satellite systems is extended. It is shown how these problems can be solved even more efficiently when computation module execution times are bounded from below, intermodule communication times are bounded from above, and the processors satisfy certain homogeneity constraints. The improved algorithms have significantly lower time and space complexities than the more general algorithms: in one case, an O(nm3) time algorithm for mapping m modules onto n processors is replaced with an O(nm log m) time algorithm, and the space requirements are reduced from O(nm2) to O(m). Run-time complexity is reduced further with parallel mapping algorithms based on these improvements, which run on the architectures for which they create mappings.

Nicol, David M.↗
NASA NTRS2006

Considerations for Isochronous Data Services over the Proximity-1 Space Link

Future mission concepts for robotic and human explorations will involve a high level of real time control/monitoring operations such as tele-operation for spacecraft rendezvous and surface mobile platforms carrying life-support equipments. The timely dissemination of voice, command, and real-time telemetry for monitoring and coordination purposes is critical for mission success. It is envisioned that future missions will require a network infrastructure capable of supporting isochronous data services. The CCSDS Proximity-1 Space Link Protocol1 could be used to carry isochronous traffic. This paper we will focus on the data link layer portion of the Proximity-1 protocol specification and analyze its jitter and performance for supporting isochronous applications. In particular we will focus on constrained scenarios where the protocol operates in full-duplex mode, carrying isochronous traffic in one direction and error-controlled traffic in the other direction. We analyze the impact of the strict priority scheme in Proximity-1 used to arbitrate channel access on the latency jitter of the isochronous traffic and the efficiency of the reliable data transfer. In general, jitter performance is driven by the loading of the acknowledgement traffic on the forward link. Under light loading condition, the upper-bound of the delay jitter is the transmission duration of an acknowledgement frame on the forward link; for higher loading scenarios, the maximum jitter is scaled up by the inverse of the residual bandwidth, i.e., the spare capacity available in the forward link after accounting for the acknowledgement traffic. We derive analytical expression on the maximum jitter and discuss its performance.

space link↗
NASA NTRS2015

A Complementary Note to 'A Lag-1 Smoother Approach to System-Error Estimation': The Intrinsic Limitations of Residual Diagnostics

Recently, this author studied an approach to the estimation of system error based on combining observation residuals derived from a sequential filter and fixed lag-1 smoother. While extending the methodology to a variational formulation, experimenting with simple models and making sure consistency was found between the sequential and variational formulations, the limitations of the residual-based approach came clearly to the surface. This note uses the sequential assimilation application to simple nonlinear dynamics to highlight the issue. Only when some of the underlying error statistics are assumed known is it possible to estimate the unknown component. In general, when considerable uncertainties exist in the underlying statistics as a whole, attempts to obtain separate estimates of the various error covariances are bound to lead to misrepresentation of errors. The conclusions are particularly relevant to present-day attempts to estimate observation-error correlations from observation residual statistics. A brief illustration of the issue is also provided by comparing estimates of error correlations derived from a quasi-operational assimilation system and a corresponding Observing System Simulation Experiments framework.

Fixed-lag smoothing↗
NASA NTRSDate not supplied

A Proposed Clock Synchronization Method for the Solar System Internet

Networked communications in space are necessary to achieve scalability in terms of the number of communicating nodes but also in terms of the overall system complexity. A key component to such a system is the ability to synchronize clocks, which is the focus of this paper. The so-called Solar System Internet (SSI) will be built upon Delay Tolerant Networking (DTN), which, in analogy to the Internet Protocol (IP), can be considered a suite of protocols necessary for networking in the space domain. Therefore, our goal is to extend this suite to include a DTN clock synchronization capability, analogous to the Network Time Protocol (NTP) used in the Internet. A motivating example of a network in space is NASA’s LunaNet, a vision for a multi-hop multi-path network extending to the moon wherein not all nodes will have direct connections to an authoritative reference clock. In this paper, we propose a general clock synchronization methodology and algorithm that could be used for LunaNet as well as more elaborate time-varying networks. In recent years, DTN has benefited from modeling efforts founded on the mathematical tool of sheaves. Here we continue this work to provide an approach to clock synchronization. Due to the time-varying nature of space networks, absolute consensus is not possible. However, the sheaf Laplacian provides a practical, distributed approach to approximating consensus by allowing data to diffuse through the network. In particular, the sheaf Laplacian is readily computable, lending our approach to implementation. Our approach is well suited to handle the difficulties of space networks. For instance, differences in clock accuracy mean certain nodes are more authoritative than others; we can account for these differences through hierarchies in the network, generalizing the strata in NTP. Furthermore, just as error estimation is an integral part of NTP, we are able to give concrete error bounds for our approach. Indeed, different applications (e.g., communications schedules, pointing, navigation, distributed science) will have different requirements, hence it is necessary to maintain clocks within a given tolerance. We outline some of the necessary steps to turn our approach into a practical network protocol that could be used in DTN, and we conclude the paper with suggestions for future research.

Michael Moy↗
NASA NTRS1951

Basic Differential Equations in General Theory of Elastic Shells

The shell shall be considered as a three-dimensional continuous medium; for the coordinate surface, the middle surface of the shell shall be assumed parallel to the bounding surfaces. Let alpha and beta be the curvilinear orthogonal coordinates of this surface, coinciding with the lines of principal curvatures, and gamma the distance along the normal from the point (alpha,beta) of the coordinate surface to any point (alpha,beta,gamma) of the shell.

Vlasov, V. S.↗
DOE OSTI2025

Advanced Method Optimization with Categorical and Constrained Continuous Parameters

Traditional approaches to analytical method optimization (e.g., univariate and “guess-and-check”) can be time-consuming, costly, and often fail to identify true optima within the parameter space. Previous work defined and implemented a generalized technique for method optimization for continuous method parameters, but a knowledge gap remains for the incorporation of categorical variables into these advanced method optimization schemes. This work presents and validates a generalized optimization approach that incorporates both continuous and categorical variables while also utilizing a multivariate, multiobjective optimization scheme with Karush–Kuhn–Tucker conditions to bound the optimization space to solutions within the physical limitations of the parameter space. Method optimization from a case study using GC–MS for the analysis of 11 analytical standards with objectives to minimize peak width and maximize peak height resulted in a 3 orders of magnitude improvement in the average peak height and a 2 orders of magnitude improvement in the average peak width compared to the least optimal (but reasonable) instrumental parameters utilized in this study. This approach to optimization allows for a customizable method optimization in which users can include both continuous and categorical variables to achieve objectives specific to their analytical goals. This approach significantly reduces the labor and cost associated with traditional method development approaches and can be applied in a variety of scientific fields across a range of laboratory techniques (e.g., instrument method development, sample preparation, and extraction techniques).

Amorphous materials↗
DOE OSTI2020

On the advantages of exploiting memory in Markov state models for biomolecular dynamics

Biomolecular dynamics play an important role in numerous biological processes. Markov State Models (MSMs) provide a powerful approach to study these dynamic processes by predicting long time scale dynamics based on many short molecular dynamics (MD) simulations. In an MSM, protein dynamics are modeled as a kinetic process consisting of a series of Markovian transitions between different conformational states at discrete time intervals (called “lag time”). To achieve this, a master equation must be constructed with a sufficiently long lag time to allow interstate transitions to become truly Markovian. This imposes a major challenge for MSM studies of proteins since the lag time is bound by the length of relatively short MD simulations available to estimate the frequency of transitions. Here, we show how one can employ the generalized master equation formalism to obtain an exact description of protein conformational dynamics both at short and long time scales without the time resolution restrictions imposed by the MSM lag time. Using a simple kinetic model, alanine dipeptide, and WW domain, we demonstrate that it is possible to construct these quasi-Markov State Models (qMSMs) using MD simulations that are 5–10 times shorter than those required by MSMs. These qMSMs only contain a handful of metastable states and, thus, can greatly facilitate the interpretation of mechanisms associated with protein dynamics. A qMSM opens the door to the study of conformational changes of complex biomolecules where a Markovian model with a few states is often difficult to construct due to the limited length of available MD simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Effective interactions between nuclear clusters

In this work, the effective interactions between two nuclear clusters, d + d, t + t, and α + α, are investigated within a cluster model using local nucleon-nucleon (NN) forces. It is shown that the interaction in the spin-aligned d + d system is repulsive for all intercluster distances, whereas the α + α and spin-aligned t + t systems are attractive at intermediate distances. The Pauli blocking between identical-nucleon pairs is responsible for the cluster-cluster repulsion and becomes dominant in the shallow binding limit. We demonstrate that two d clusters could be bound if the NN force has nonzero range and is strong enough to form a deeply bound d cluster, or if the NN force has both even-parity and odd-parity attraction. Effective dimer-dimer interactions for general quantum systems of two-component fermions are also discussed in heavy-light mass limit, where one component is much heavier than the other, and their relation to intercluster interactions in nuclear systems are discussed. Our findings provide a conceptual foundation for conclusions obtained numerically in the literature, that increasing the range or strength of the local part of the attractive nucleon-nucleon interaction results in a more attractive cluster-cluster interaction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Nonequilibrium information entropy approach to ternary fission of actinides

Ternary fission of actinides probes the state of the nucleus at scission. Light clusters are produced in space and time very close to the scission point. Within the nonequilibrium statistical operator method, a generalized Gibbs distribution is constructed from the information given by the observed yields of isotopes. Using this relevant statistical operator, yields are calculated taking excited states and continuum correlations into account, in accordance with the virial expansion of the equation of state. Furthermore, clusters with mass number A≤10 are well described using the nonequilibrium generalizations of temperature and chemical potentials. Improving the virial expansion, in-medium effects may become of importance in determining the contribution of weakly bound states and continuum correlations to the intrinsic partition function. Yields of larger clusters, which fail to reach this quasiequilibrium form of the relevant distribution, are described by nucleation kinetics, and a saddle-to-scission relaxation time of about 7000 fm/c is inferred. Light-charged particle emission, described by reaction kinetics and virial expansions, may therefore be regarded as a very important tool to probe the nonequilibrium time evolution of actinide nuclei during fission.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1973

Theoretical calculation of the compressibility of porous media.

The normalized bulk compressibility of a porous medium is expressed directly in terms of pore strains. The derived expression holds over all porosity and allows for direct substitution of both different pore geometries and pore-pore interactions into the strain term. Pores are assumed to be open. The parent (matrix forming) material is assumed to be homogeneous and isotropic. Pore fluids may be admitted. A simple pore-pore interaction term is introduced. Upper-bound stiffness equations (i.e., equations ignoring pore-pore interactions) are derived for media with oblate spheroidal pores. Effective stress is introduced into the general equation for the normalized bulk compressibility.

Warren, N.↗
NASA NTRS1985

Testing an Energy Balance Model for Estimating Actual Evapotranspiration Using Remotely Sensed Data

An energy-balance model is used to estimate daily evapotranspiration for 3 days for a barley field and a wheat field near Hannover, Federal Republic of Germany. The model was calibrated using once-daily estimates of surface temperatures, which may be remotely sensed. The evaporation estimates were within the 95% error bounds of independent eddy correlation estimates for the daytime periods for all three days for both sites, but the energy-balance estimates are generally higher; it is unclear which estimate is biassed. Soil moisture in the top 2 cm of soil, which may be remotely sensed, may be used to improve these evaporation estimates under partial ground cover. Sensitivity studies indicate the amount of ground data required is not excessive.

Gurney, R. J.↗
DOE OSTI2022

Comparative critical mass calculations for NNL and ENDF/B-VIII.0 - Zirconium hydride thermal neutron scattering laws

Zirconium hydride (ZrH{sub x}) is a moderator material for TRIGA reactors and historical space reactor systems, such as SNAP-10A. Thermal neutron scattering laws (TSL) for two phases of this material, δ and ε, have been previously evaluated by Naval Nuclear Laboratory (NNL) and submitted to the National Nuclear Data Center (NNDC) for inclusion in the US national ENDF/B-VIII.1 nuclear data library. In contrast to the current ENDF/B-VIII.0 TSL evaluations, which consider only a single phase, the new evaluations are derived from separate ab initio calculations for both phases and include coherent elastic effects of the zirconium sublattice. To estimate the impact of these changes to the TSL evaluation of this material, comparative critical mass calculations were performed with MC21 for homogenous mixtures of high-enriched uranium (HEU) and ZrH{sub x} in bare and water reflected sphere configurations. These calculations yield an impact on the estimated critical mass as a function of {sup 235}U loading density with maximum differences as large as 1% - 5% for over-moderated thermal spectrum systems. Consequently, the NNL TSL evaluations are anticipated to have a small impact on criticality calculations of thermal reactor systems regardless of the material phase. Nevertheless, characteristic differences exist in the predicted thermal spectra as function of energy for the two sets of TSL evaluations, which are attributed to difference in the underlying phonon density of states of hydrogen bound in ZrH{sub x}. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

MEASUREMENT OF THE GENERALIZED POLARIZABILITIES OF THE PROTON IN VIRTUAL COMPTON SCATTERING

Understanding how the visible matter in the universe arises from its elementary quark and gluon constituents is a central question for science. The visible world is founded on the proton, the only composite building block of matter that is stable in nature. Consequently, understanding the formation of matter relies on explaining the dynamics and the properties of the proton?s bound state. A fundamental property of the proton involves the system?s response to an external electromagnetic (EM) field. It is characterized by the EM polarizabilities that describe how easily the charge and magnetization distributions inside the system are distorted by the EM field. When the polarizabilities are generalized to finite momentum transfer, their Fourier transform can map out the spatial distribution of the polarization densities in a proton subject to an EM field. This thesis focuses on the measurement of the proton generalized polarizabilities (GPs) at low four-momentum transfer in experimental Hall C at the Thomas Jefferson National Accelerator Facility (TJNAF). Among the six independent GPs, we will focus on the electric (aE1) and the magnetic (bM1) scalar GPs. The GPs can be accessed through measurements of the Virtual Compton Scattering reaction, by replacing the incoming real photon of the Compton scattering process with a space-like virtual photon. The outgoing real photon provides the EM perturbation to the system. In addition, the Dispersion Relation Formalism is used for generalized polarizability extraction. In this work, the two scalar GPs measured with unprecedented precision, and the measurements help explore a momentum transfer region where an anomalous enhancement of the electric GP that contradicts the predictions of nuclear theory has been observed.

Li, Ruonan↗
DOE OSTI2021

Island for gravitationally prepared state and pseudo entanglement wedge

We consider spacetime initiated by a finite-sized initial boundary as a generalization of the Hartle-Hawking no-boundary state. We study entanglement entropy of matter state prepared by such spacetime. We find that the entanglement entropy for large subregion is given either by the initial state entanglement or the entanglement island, preventing the entropy to grow arbitrarily large. Consequently, the entanglement entropy is always bounded from above by the boundary area of the island, leading to an entropy bound in terms of the island. The island I is located in the analytically continued spacetime, either at the bra or the ket part of the spacetime in Schwinger-Keldysh formalism. The entanglement entropy is given by an average of complex pseudo generalized entropy for each entanglement island. We find a necessary condition of the initial state to be consistent with the strong sub-additivity, which requires that any probe degrees of freedom are thermally entangled with the rest of the system. We then find a large parameter region where the spacetime with finite-sized initial boundary, which does not have the factorization puzzle at leading order, dominates over the Hartle-Hawking no-boundary state or the bra ket wormhole. Due to the absence of a moment of time reflection symmetry, the island in our setup is a generalization of the entanglement wedge, called pseudo entanglement wedge. In pseudo entanglement wedge reconstruction, we consider reconstructing the bulk matter transition matrix on A ∪ I, from a fine-grained state on A. The bulk transition matrix is given by a thermofield double state with a projection by the initial state. We also provide an AdS/BCFT model by considering EOW branes with corners. We also find the exponential hardness of such reconstruction task using a generalization of Python’s lunch conjecture to pseudo generalized entropy.

2D gravity↗
NASA NTRS1986

Expected performance of m-solution backtracking

This paper derives upper bounds on the expected number of search tree nodes visited during an m-solution backtracking search, a search which terminates after some preselected number m problem solutions are found. The search behavior is assumed to have a general probabilistic structure. The results are stated in terms of node expansion and contraction. A visited search tree node is said to be expanding if the mean number of its children visited by the search exceeds 1 and is contracting otherwise. It is shown that if every node expands, or if every node contracts, then the number of search tree nodes visited by a search has an upper bound which is linear in the depth of the tree, in the mean number of children a node has, and in the number of solutions sought. Also derived are bounds linear in the depth of the tree in some situations where an upper portion of the tree contracts (expands), while the lower portion expands (contracts). While previous analyses of 1-solution backtracking have concluded that the expected performance is always linear in the tree depth, the model allows superlinear expected performance.

Nicol, D. M.↗
DOE OSTI2022

On the Jet–Ejecta Interaction in 3D GRMHD Simulations of a Binary Neutron Star Merger Aftermath

Short γ-ray burst (sGRB) jets form in the aftermath of a neutron star merger, drill through disk winds and dynamical ejecta, and extend over four to five orders of magnitude in distance before breaking out of the ejecta. We present the first 3D general-relativistic magnetohydrodynamic sGRB simulations to span this enormous scale separation. They feature three possible outcomes: jet+cocoon, cocoon, and neither. Typical sGRB jets break out of the dynamical ejecta if (i) the bound ejecta's isotropic equivalent mass along the pole at the time of the BH formation is ≲10 -4 M ⊙ , setting a limit on the delay time between the merger and BH formation, otherwise, the jets perish inside the ejecta and leave the jet-inflated cocoon to power a low-luminosity sGRB; (ii) the postmerger remnant disk contains a strong large-scale vertical magnetic field, ≳1015 G; and (iii) if the jets are weak (≲10 50 erg), the ejecta's isotropic equivalent mass along the pole must be small (≲10 -2 M ⊙ ). Generally, the jet structure is shaped by the early interaction with disk winds rather than the dynamical ejecta. As long as our jets break out of the ejecta, they retain a significant magnetization (≲1), suggesting that magnetic reconnection is a fundamental property of sGRB emission. The angular structure of the outflow isotropic equivalent energy after breakout consistently features a flat core followed by a steep power-law distribution (slope ≳3), similar to hydrodynamic jets. In the cocoon-only outcome, the dynamical ejecta broadens the outflow angular distribution and flattens it (slope ~1.5).

Jets↗
DOE OSTI2021

Parallel transport dynamics for mixed quantum states with applications to time-dependent density functional theory

Direct simulation of the von Neumann dynamics for a general (pure or mixed) quantum state can often be expensive. One prominent example is the real-time time-dependent density functional theory (rt-TDDFT), a widely used framework for the first principle description of many-electron dynamics in chemical and materials systems. Practical rt-TDDFT calculations often avoid the direct simulation of the von Neumann equation, and solve instead a set of Schrödinger equations, of which the dynamics is equivalent to that of the von Neumann equation. However, the time step size employed by the Schrödinger dynamics is often much smaller. Here, in order to improve the time step size and the overall efficiency of the simulation, we generalize a recent work of the parallel transport (PT) dynamics for simulating pure states [An, Lin, Multiscale Model. Simul. 18, 612, 2020] to general quantum states. The PT dynamics provides the optimal gauge choice, and can employ a time step size comparable to that of the von Neumann dynamics. Going beyond the linear and near adiabatic regime in previous studies, we find that the error of the PT dynamics can be bounded by certain commutators between Hamiltonians, density matrices, and their derived quantities. Such a commutator structure is not present in the Schrödinger dynamics. We demonstrate that the parallel transport-implicit midpoint (PT-IM) method is a suitable method for simulating the PT dynamics, especially when the spectral radius of the Hamiltonian is large. The commutator structure of the error bound, and numerical results for model rt-TDDFT calculations in both linear and nonlinear regimes, confirm the advantage of the PT dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗