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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 397 records · Page 22

All sources NASA NTRS DOE OSTI

NASA NTRS2004

Small Aircraft Transportation System Concept and Technologies

This paper summarizes both the vision and the early public-private collaborative research for the Small Aircraft Transportation System (SATS). The paper outlines an operational definition of SATS, describes how SATS conceptually differs from current air transportation capabilities, introduces four SATS operating capabilities, and explains the relation between the SATS operating capabilities and the potential for expanded air mobility. The SATS technology roadmap encompasses on-demand, widely distributed, point-to-point air mobility, through hired-pilot modes in the nearer-term, and through self-operated user modes in the farther-term. The nearer-term concept is based on aircraft and airspace technologies being developed to make the use of smaller, more widely distributed community reliever and general aviation airports and their runways more useful in more weather conditions, in commercial hired-pilot service modes. The farther-term vision is based on technical concepts that could be developed to simplify or automate many of the operational functions in the aircraft and the airspace for meeting future public transportation needs, in personally operated modes. NASA technology strategies form a roadmap between the nearer-term concept and the farther-term vision. This paper outlines a roadmap for scalable, on-demand, distributed air mobility technologies for vehicle and airspace systems. The audiences for the paper include General Aviation manufacturers, small aircraft transportation service providers, the flight training industry, airport and transportation authorities at the Federal, state and local levels, and organizations involved in planning for future National Airspace System advancements.

Small aircraft transportation system↗

NASA NTRS2020

Small Unmanned Aircraft System Communications and Navigation Performance

NASA performed research and development of technologies and requirements for traffic management of small Unmanned Aircraft Systems (UAS). In this effort, four measures of performance (MOPs) were developed to understand the performance of small UAS communications and navigation systems in urban operations. This Technical Memorandum (TM) describes UAS Traffic Management (UTM) operational architecture, UTM Technical Capability Level 4 (TCL4) flight tests that took place in two different urban settings, the four MOPs, and the TCL4 MOP results.

Unmanned Aviation Systems Traffic Management↗

DOE OSTI2015

Enzyme efficiency: An open reaction system perspective

A measure of enzyme efficiency is proposed for an open reaction network that, in suitable form, applies to closed systems as well. The idea originates from the description of classical enzyme kinetics in terms of cycles. We derive analytical expressions for the efficiency measure by treating the network not only deterministically but also stochastically. The latter accounts for any significant amount of noise that can be present in biological systems and hence reveals its impact on efficiency. Numerical verification of the results is also performed. It is found that the deterministic equation overestimates the efficiency, the more so for very small system sizes. Roles of various kinetics parameters and system sizes on the efficiency are thoroughly explored and compared with the standard definition k{sub 2}/K{sub M}. Study of substrate fluctuation also indicates an interesting efficiency-accuracy balance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2013

Efficient calculation of many-body induced electrostatics in molecular systems

Potential energy functions including many-body polarization are in widespread use in simulations of aqueous and biological systems, metal-organics, molecular clusters, and other systems where electronically induced redistribution of charge among local atomic sites is of importance. The polarization interactions, treated here via the methods of Thole and Applequist, while long-ranged, can be computed for moderate-sized periodic systems with extremely high accuracy by extending Ewald summation to the induced fields as demonstrated by Nymand, Sala, and others. These full Ewald polarization calculations, however, are expensive and often limited to very small systems, particularly in Monte Carlo simulations, which may require energy evaluation over several hundred-thousand configurations. For such situations, it shall be shown that sufficiently accurate computation of the polarization energy can be produced in a fraction of the central processing unit (CPU) time by neglecting the long-range extension to the induced fields while applying the long-range treatments of Ewald or Wolf to the static fields; these methods, denoted Ewald E-Static and Wolf E-Static (WES), respectively, provide an effective means to obtain polarization energies for intermediate and large systems including those with several thousand polarizable sites in a fraction of the CPU time. Furthermore, we shall demonstrate a means to optimize the damping for WES calculations via extrapolation from smaller trial systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Dynamics of the Plasmoid-unstable Regime in Different Multiple-current Plasmas

The dynamics of plasmoid instability in multiple-current plasmas with different system sizes is investigated by means of resistive magnetohydrodynamic simulations. As the system size is increased, the secondary current sheets become very long, producing more plasmoids. It is found that the dependence on resistivity η of the number of plasmoids changes from no clear scaling for small system size, to scaling in ∼η{sup −1} for large system size. Moreover, increasing the current length of the system weakens the negative dependence of the early growth rate of the monster plasmoid on η. This is qualitatively different from the reconnection rate for a single-current sheet, where it usually has a positive dependence on η or is independent of η. In addition, increasing the current length significantly increases the maximum width of the monster plasmoid in the low-η regime, manifesting a scaling ∼η{sup −0.4}.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1978

Space ecosynthesis: An approach to the design of closed ecosystems for use in space

The use of closed ecological systems for the regeneration of wastes, air, and water is discussed. It is concluded that such systems, if they are to be used for the support of humans in space, will require extensive mechanical and physico-chemical support. The reason for this is that the buffering capacity available in small systems is inadequate, and that natural biological and physical regulatory mechanisms rapidly become inoperative. It is proposed that mathematical models of the dynamics of a closed ecological system may provide the best means of studying the initial problems of ecosystem closure. A conceptual and mathematical model of a closed ecosystem is described which treats the biological components as a farm, calculates the rates of flow of elements through the system by mass-balance techniques and control theory postulates, and can evaluate the requirements for mechanical buffering activities. It is suggested that study of the closure of ecosystems can significantly aid in the establishment of general principles of ecological systems.

Macelroy, R. D.↗

DOE OSTI2019

Completed coarse-grained model for Pu hydriding that has quantum accuracy (Progress Summary)

Our team has developed a highly computationally efficient coarse-grained model for PuH 2 formation, based on high-level quantum mechanical calculations. Kohn-Sham Density Functional Theory (DFT) is a quantum mechanical approach that can be highly accurate for modeling condensed phases, including reactive materials that are subject to the breaking and forming of chemical bonds. DFT calculations, though, are extremely computationally intensive, and are generally limited to exceedingly small system sizes and time scales. This is particularly true for f-electron solids such as plutonium, where the high computational effort due to electron correlations and minimizing to specific electronic spin-states (e.g., anti-ferromagnetic vs. ferromagnetic) limits standard calculations to systems of tens of atoms and precludes the determination of time-dependent properties (e.g., chemical kinetic data). In this regard, we have created a simplified Pu + H 2 /PuH 2 equilibrium model based on a small number of interaction energies determined from DFT calculations. We have determined that Pu-H bond energetics in the bulk are largely defined by nearest-neighbor interactions, only. In other words, a hydrogen atom in a d-Pu tetrahedral interstitial site will only experience perturbations to its H-Pu bonded interactions when there is an additional hydrogen ion in a directly adjacent adsorption site. This is due to the strong electronic screening from the Pu atoms, which essentially limits the spatial extent of how hydrogen ions interact with each other within the Pu lattice. As a result, we are able to pre-tabulate all essential Pu-H interaction energies and model PuH 2 formation via a Monte Carlo simulation approach. This allows us to greatly expand the spatial and time scales of our calculations while maintaining most of the accuracy of quantum methods. Our model can thus be extended to system sizes if 100,000 atoms or greater and can be used to model hydride equilibrium processes, all of which are computationally cost prohibitive with any standard quantum code. We have used our approach to compute a two-dimensional free energy heat map and temperature dependence at sub-atmospheric pressures for PuH 2 formation. Our results compare well to the limited available experimental data, in particular for the enthalpy of formation (DH). Our goal is to extend these results to compute nucleation parameters such as the critical nucleus size and nucleation growth rates for continuum models.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Semiclassical approach to dynamics of interacting fermions

Understanding the behaviour of interacting fermions is of fundamental interest in many fields ranging from condensed matter to high energy physics. Developing numerically efficient and accurate simulation methods is an indispensable part of this. Already in equilibrium, fermions are notoriously hard to handle due to the sign problem. Out of equilibrium, an important outstanding problem is the efficient numerical simulation of the dynamics of these systems. In this work we develop a new semiclassical phase-space approach (a.k.a. the truncated Wigner approximation) for simulating the dynamics of interacting fermions in arbitrary dimensions. As fermions are essentially non-classical objects, a phase-space is constructed out of all fermionic bilinears. Classical phase-space is thus comprised of highly non-local (hidden) variables representing these bilinears, and the cost of the method is that it scales quadratic rather than linear with system size. We demonstrate the strength of the method by comparing the results to the exact quantum dynamics of fermion expansion in the Hubbard model and quantum thermalization in the Sachdev–Ye–Kitaev (SYK) model for small systems, where the semiclassics nearly perfectly reproduces correct results. We furthermore analyse fermion expansion in a larger, intractable by exact methods, 2D Hubbard model, which is directly relevant to recent cold atom experiments. - Highlights: • We propose a semiclassical method to simulate dynamics of interacting fermions. • A phase-space is constructed out of all fermionic bilinears. • We study quantum thermalization in the Sachdev–Ye–Kitaev model.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2014

Dynamical consequences of a constraint on the Langevin thermostat in molecular cluster simulation

We investigate some unusual behaviour observed while performing molecular dynamics simulations with the DL_POLY_4.03 code. Under the standard Langevin thermostat, atoms appear to be thermalised to different temperatures, depending on their mass and on the total number of particles in the system. We find that an imposed constraint whereby no thermal noise acts on the centre of mass of the system is the cause of the unexpected behaviour. This is demonstrated by solving the stochastic dynamics for the constrained thermostat and comparing the results with simulation data. The effect of the constraint can be considerable for small systems with disparate masses. By removing the constraint the Langevin thermostat may be restored to its intended behaviour and this has been implemented as an option in DL_POLY_4.05. SMK was supported by the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences.

dissociation↗

NASA NTRS1990

First evaluation of the main parameters in the dynamics of the Small Expendable Deployer System (SEDS) for a tethered satellite

The dynamics of the motion of the Small Expendable Deployer System (SEDS) is studied by using a simplified model in which no external forces (except the gravity gradient field) are applied on the tethered body and the tether is assumed massless. The dynamics of SEDS operation is modeled as a sequence of two phases: the deployment phase and the swing phase. For the first one the velocity dependent forces are found to force the tether forward from the local vertical. When the deployment ends, Coriolis effects vanish and the swing phase begins, which is characterized by a wide free libration. The time duration as well as velocity, acceleration and tension of the tethered body are estimated for both deployment and swing phases.

Deluca, Luigi↗

NASA NTRS2005

Small Aircraft Transportation System, Higher Volume Operations Concept: Off-Nominal Operations

This document expands the Small Aircraft Transportation System, (SATS) Higher Volume Operations (HVO) concept to include off-nominal conditions. The general philosophy underlying the HVO concept is the establishment of a newly defined area of flight operations called a Self-Controlled Area (SCA). During periods of poor weather, a block of airspace would be established around designated non-towered, non-radar airports. Aircraft flying enroute to a SATS airport would be on a standard instrument flight rules flight clearance with Air Traffic Control providing separation services. Within the SCA, pilots would take responsibility for separation assurance between their aircraft and other similarly equipped aircraft. Previous work developed the procedures for normal HVO operations. This document provides details for off-nominal and emergency procedures for situations that could be expected to occur in a future SCA.

Abbott, Terence S.↗

DOE OSTI2013

Extending the length and time scales of Gram–Schmidt Lyapunov vector computations

Lyapunov vectors have found growing interest recently due to their ability to characterize systems out of thermodynamic equilibrium. The computation of orthogonal Gram–Schmidt vectors requires multiplication and QR decomposition of large matrices, which grow as N{sup 2} (with the particle count). This expense has limited such calculations to relatively small systems and short time scales. Here, we detail two implementations of an algorithm for computing Gram–Schmidt vectors. The first is a distributed-memory message-passing method using Scalapack. The second uses the newly-released MAGMA library for GPUs. We compare the performance of both codes for Lennard–Jones fluids from N=100 to 1300 between Intel Nahalem/Infiniband DDR and NVIDIA C2050 architectures. To our best knowledge, these are the largest systems for which the Gram–Schmidt Lyapunov vectors have been computed, and the first time their calculation has been GPU-accelerated. We conclude that Lyapunov vector calculations can be significantly extended in length and time by leveraging the power of GPU-accelerated linear algebra.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Advances in refrigeration and heat transfer engineering

This special edition of Science and Technology for the Built Environment (STBE) presents selected high quality papers that were presented at the 15th International Refrigeration and Air Conditioning Conference held at Purdue University during July 14-17 2014. All papers went through the additional review before being finally accepted for publication in this special issue of Science and Technology and the Built Environment. Altogether 20 papers made to this special issue that cover a wide range of topics, including advancements in alternative refrigerants, heat exchangers/heat transfer, nano-fluids, systems design and optimization and modeling approaches. Although CO 2 may perhaps have been the most researched and popular refrigerant in the past decade, R32 is being seriously considered lately as an alternative and environmentally friendly refrigerant for small systems due to its low Global Warming Potential (GWP).

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Influence of Markovianity and self-consistency on time-resolved spectral functions of driven quantum systems

We present a systematic comparison of the real-time Dyson expansion (RTDE) with established nonequilibrium Green's function (GF) approaches for simulating driven, interacting quantum systems. Focusing on density matrix dynamics, time-off-diagonal GFs, and time-resolved photoemission spectra, we benchmark RTDE against fully self-consistent Kadanoff-Baym equation (KBE) calculations, the generalized Kadanoff-Baym ansatz, and exact diagonalization for small systems using second-order many-body perturbation theory. Using a driven two-band Hubbard model, we show that mean-field single-particle density matrix trajectories provide a reliable baseline for RTDE across a broad range of interaction strengths and excited-carrier populations. Further, RTDE accurately captures correlation effects in the GFs, including long-lived oscillations and revivals that are strongly suppressed by the overdamping inherent to self-consistent KBE schemes. As a consequence, RTDE resolves rich nonequilibrium spectral structure in time-resolved photoemission, such as interaction- and population-dependent quasiparticle splittings and band gap renormalization, which are largely washed out in self-consistent approaches yet are present in exact solutions. Furthermore, our results demonstrate that RTDE bridges the gap between mean-field propagation and full two-time KBE simulations, retaining favorable linear scaling while capturing essential dynamical correlations relevant for ultrafast spectroscopy.

Electronic structure↗

NASA NTRS2005

Overview of the Small Aircraft Transportation System Project Four Enabling Operating Capabilities

It has become evident that our commercial air transportation system is reaching its peak in terms of capacity, with numerous delays in the system and the demand still steadily increasing. NASA, FAA, and the National Consortium for Aviation Mobility (NCAM) have partnered to aid in increasing the mobility throughout the United States through the Small Aircraft Transportation System (SATS) project. The SATS project has been a five-year effort to provide the technical and economic basis for further national investment and policy decisions to support a small aircraft transportation system. The SATS vision is to enable people and goods to have the convenience of on-demand point-to-point travel, anywhere, anytime for both personal and business travel. This vision can be obtained by expanding near all-weather access to more than 3,400 small community airports that are currently under-utilized throughout the United States. SATS has focused its efforts on four key operating capabilities that have addressed new emerging technologies, procedures, and concepts to pave the way for small aircraft to operate in nearly all weather conditions at virtually any runway in the United States. These four key operating capabilities are: Higher Volume Operations at Non-Towered/Non-Radar Airports, En Route Procedures and Systems for Integrated Fleet Operations, Lower Landing Minimums at Minimally Equipped Landing Facilities, and Increased Single Pilot Performance. The SATS project culminated with the 2005 SATS Public Demonstration in Danville, Virginia on June 5th-7th, by showcasing the accomplishments achieved throughout the project and demonstrating that a small aircraft transportation system could be viable. The technologies, procedures, and concepts were successfully demonstrated to show that they were safe, effective, and affordable for small aircraft in near all weather conditions. The focus of this paper is to provide an overview of the technical and operational feasibility of the four operating capabilities, and explain how they can enable a small aircraft transportation system.

Viken, Sally A.↗

NASA NTRS2005

Overview of the Small Aircraft Transportation System Project Four Enabling Operating Capabilities

Viken, Sally A.↗

DOE OSTI2014

Imaginary time correlations and the phaseless auxiliary field quantum Monte Carlo

The phaseless Auxiliary Field Quantum Monte Carlo (AFQMC) method provides a well established approximation scheme for accurate calculations of ground state energies of many-fermions systems. Here we address the possibility of calculating imaginary time correlation functions with the phaseless AFQMC. We give a detailed description of the technique and test the quality of the results for static properties and imaginary time correlation functions against exact values for small systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2015

Small Unmanned Aircraft Systems Integration into the National Airspace System Visual-Line-of-Sight Human-in-the-Loop Experiment

As part of the Unmanned Aircraft Systems (UAS) in the National Airspace System (NAS) project, research on integrating small UAS (sUAS) into the NAS was underway by a human-systems integration (HSI) team at the NASA Langley Research Center. Minimal to no research has been conducted on the safe, effective, and efficient manner in which to integrate these aircraft into the NAS. sUAS are defined as aircraft weighing 55 pounds or less. The objective of this human system integration team was to build a UAS Ground Control Station (GCS) and to develop a research test-bed and database that provides data, proof of concept, and human factors guidelines for GCS operations in the NAS. The objectives of this experiment were to evaluate the effectiveness and safety of flying sUAS in Class D and Class G airspace utilizing manual control inputs and voice radio communications between the pilot, mission control, and air traffic control. The design of the experiment included three sets of GCS display configurations, in addition to a hand-held control unit. The three different display configurations were VLOS, VLOS + Primary Flight Display (PFD), and VLOS + PFD + Moving Map (Map). Test subject pilots had better situation awareness of their vehicle position, altitude, airspeed, location over the ground, and mission track using the Map display configuration. This configuration allowed the pilots to complete the mission objectives with less workload, at the expense of having better situation awareness of other aircraft. The subjects were better able to see other aircraft when using the VLOS display configuration. However, their mission performance, as well as their ability to aviate and navigate, was reduced compared to runs that included the PFD and Map displays.

Trujillo, Anna C.↗