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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Properties of coupled-cluster equations originating in excitation sub-algebras

In this paper we discuss properties of single-reference coupled cluster (CC) equations associated with the existence of nilpotent sub-algebras of excitations that allow one to represent CC equations in a hybrid fashion where the cluster amplitudes associated with these sub-algebras can be obtained by solving corresponding eigenvalue problem. For closed-shell formulations analyzed in this paper, the hybrid representation of CC equations provides a natural way for extending concepts behind actives-spaces and seniority numbers to provide more accurate description of electron correlation effects. Moreover, new representation can be utilized to re-define iterative algorithms used to solve CC equations, especially for though cases defined by the presence of strong static and dynamic correlation effects. We will also explore invariance properties associated with the nilpotent sub-algebras to define a new class of CC approximations referred in this paper to as the nilpotent-flow-based CC methods. We illustrate the performance of these methods on the example of ground- and excited-state calculations for commonly used small benchmark systems.

Kowalski, Karol↗
DOE OSTI2025

Common femtoscopic hadron-emission source in pp collisions at the LHC

The femtoscopic study of pairs of identical pions is particularly suited to investigate the effective source function of particle emission, due to the resulting Bose–Einstein correlation signal. In small collision systems at the LHC, pp in particular, the majority of the pions are produced in resonance decays, which significantly affect the profile and size of the source. In this work, we explicitly model this effect in order to extract the primordial source in pp collisions at $\sqrt{s}$ = 13 TeV from charged π–π correlations measured by ALICE. We demonstrate that the assumption of a Gaussian primordial source is compatible with the data and that the effective source, resulting from modifications due to resonances, is approximately exponential, as found in previous measurements at the LHC. The universality of hadron emission in pp collisions is further investigated by applying the same methodology to characterize the primordial source of K–p pairs. The size of the primordial source is evaluated as a function of the transverse mass (m T ) of the pairs, leading to the observation of a common scaling for both π–π and K–p, suggesting a collective effect. Further, the present results are compatible with the m T scaling of the p–p and p–Λ primordial source measured by ALICE in high multiplicity pp collisions, providing additional evidence for the presence of a common emission source for all hadrons in small collision systems at the LHC. This will allow the determination of the source function for any hadron–hadron pairs with high precision, granting access to the properties of the possible final-state interaction among pairs of less abundantly produced hadrons, such as strange or charmed particles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Nonequilibrium effects and transverse spherocity in ultrarelativistic proton-nucleus collisions

We investigate the effects of nonequilibrium dynamics in small colliding systems by comparing a nonequilibrium transport approach, Parton-Hadron-String Dynamics (PHSD), with a (2+1)-dimensional viscous hydrodynamic model, VISHNew. Focusing on p + Pb collisions at energies available at the Large Hadron Collider, we extract the initial conditions for the hydrodynamic model from PHSD, in order to reduce the impact of the early out-of-equilibrium dynamics and focus on the traces of nonequilibrium in the ensuing medium evolution. We find that in the transport approach quantities like energy density and bulk viscous pressure are highly inhomogeneous on the transverse plane during the whole evolution, whereas the hydrodynamic simulations dissolve more efficiently the initial spatial irregularities, still keeping a high degree of inhomogeneity due to the smaller size and lifetime of the medium produced in p + Pb collisions with respect to heavy-ion reactions. As a first step that will help to identify the impact of these nonequilibrium effects on final observables in proton-nucleus collisions, we perform an analysis of the transverse spherocity, an event-shape observable able to distinguish between jetty and isotropic configurations of transverse momenta. We found that the spherocity distribution in PHSD is slightly shifted towards the isotropic limit with respect to the hydrodynamic result. Even though this dissimilarity is partially due to the difference in the final charged particle production, it mainly comes from the different description within the two frameworks of the medium produced in small colliding systems. This finding supports the idea that multidifferential measurements, such as those based on event categorization according to multiplicity and spherocity, are useful to study final-state observables in ultrarelativistic proton-nucleus collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

The effects of a stannous chloride-based water treatment system in a mercury contaminated stream

Remediation of mercury (Hg)-contaminated watersheds is often challenging because of the complex nature of Hg biogeochemistry. Stream ecosystems have been shown to be particularly susceptible to Hg contamination and bioaccumulation in fish. Decreasing total Hg loading to stream systems, however, has shown variable performance in decreasing Hg concentrations in fish tissues. In this study, we assess the impacts of an innovative treatment system in reducing releases of Hg to a small stream system in the southeastern United States. The treatment system, installed in 2007, removes Hg from water using tin (Sn) (II) chloride followed by air stripping. Mercury concentrations in the receiving stream, Tims Branch, decreased from > 100 to ~10 ng/L in the four years following treatment, and Hg body burdens in redfin pickerel ( Esox americanus ) decreased by 70 % at the most contaminated site. Tin concentrations in water and fish increased significantly in the tributary leading to Tims Branch, but concentrations remain below levels of concern for human health or ecological risks. While other studies have shown that Sn may be environmentally methylated and methyltin can transfer its methyl group to Hg, results from our field studies and sediment incubation experiments suggest that the added Sn to the Tims Branch watershed is not contributing to MeHg production and bioaccumulation. The stannous chloride treatment system installed at Tims Branch was effective at removing Hg inputs and reducing Hg bioaccumulation in the stream with minimal impacts on the environment due to the increased Sn in the system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Charge-patching method for the calculation of electronic structure of polypeptides

Theoretical study of the electronic structures of protein is a fundamental challenge in computational biochemistry due to the large size of the systems. The electronic structure of a protein is important for some of the important protein functionalities, such as photosynthesis. Here, we explored the charge-patching method to calculate the electronic structure of polypeptides. This method generates the charge densities of the systems by patching the charge motifs calculated from small prototype systems. The method was tested on a range of polypeptides, including the glycine polypeptide in 2 7 -ribbon, α-helix, 3 10 -helix, and β-strand structures. After the charge density profiles of these systems were obtained, the electronic structures of these glycine polypeptides were further calculated based on density functional theory (DFT) using a folded-spectrum method. The highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) were analyzed and compared with conventional direct DFT calculations. The charge-patching method results were found to be in good agreement with the directed DFT results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Transits of planets with small intervals in circumbinary systems

Transit times around single stars can be described well by a linear ephemeris. However, transit times in circumbinary systems are influenced both by the gravitational perturbations and the orbital phase variations of the central binary star. Adopting a coplanar analog of Kepler-16 as an example, we find that circumbinary planets can transit the same star more than once during a single planetary orbit, a phenomenon we call 'tight transits.' In certain geometric architecture, the projected orbital velocity of the planet and the secondary star can approach zero and change sign, resulting in very long transits and/or 2-3 transits during a single binary orbit. Whether tight transits are possible for a particular system depends primarily on the binary mass ratio and the orbital architecture of both the binary and the planet. We derive a time-dependent criterion to judge when tight transits are possible for any circumbinary system. These results are verified with full dynamical integrations that also reveal other tight transit characteristics, i.e., the transit durations and the intervals between tight transits. For the seven currently known circumbinary systems, we estimate these critical parameters both analytically and numerically. Due to the mutual inclination between the planet and the binary, tight transits can only occur across the less massive star B in Kepler-16, -34, -35, and -47 (for both planets). The long-term average frequency of tight transits (compared to typical transits) for Kepler-16, -34, and -35 are estimated to be several percent. Using full numerical integrations, the next tight transit for each system is predicted and the soonest example appears to be Kepler-47b and -47c, which are likely to have tight transits before 2025. These unique and valuable events often deserve special observational scrutiny.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

SAM™ (System Advisor Model™) [SWR-16-02, SWR-10-13]

See the SAM™ website to build a desktop version of the National Laboratory of the Rockies' (NLR's) System Advisor Model™ (SAM). https://sam.nlr.gov/ The System Advisor Model™ (SAM™) is a free techno-economic software model that facilitates decision-making for people in the renewable energy industry: -Project managers and engineers -Policy analysts -Technology developers -Researchers SAM can model many types of renewable energy systems: -Photovoltaic systems, from small residential rooftop to large utility-scale systems -Battery storage with Lithium ion, lead acid, or flow batteries for front-of-meter or behind-the-meter applications -Concentrating Solar Power systems for electric power generation, including parabolic trough, power tower, and linear Fresnel -Industrial process heat from parabolic trough and linear Fresnel systems -Wind power, from individual turbines to large wind farms -Marine energy wave and tidal systems -Solar water heating -Fuel cells -Geothermal power generation -Biomass combustion for power generation -High concentration photovoltaic systems SAM's financial models are for the following types of projects: -Residential and commercial projects where the renewable energy system is on the customer side of the electric utility meter (behind the meter), and power from the system is used to reduce the customer's electricity bill. -Power purchase agreement (PPA) projects where the system is connected to the grid at an interconnection point, and the project earns revenue through power sales. The project may be owned and operated by a single owner or by a partnership involving a flip or leaseback arrangement. -Third party ownership where the system is installed on the customer's (host) property and owned by a separate entity (developer), and the host is compensated for power generated by the system through either a PPA or lease agreement. For a more detailed description of SAM, see Blair et al. (2018), System Advisor Model (SAM) General Description (Version 2017.9.5), NREL/TP-6A20-70414. https://www.nrel.gov/docs/fy18osti/70414.pdf

Ryberg, David↗
DOE OSTI2015

Update on Small Modular Reactors Dynamic System Modeling Tool: Web Application

Previous reports focused on the development of component and system models as well as end-to-end system models using Modelica and Dymola for two advanced reactor architectures: (1) Advanced Liquid Metal Reactor and (2) fluoride high-temperature reactor (FHR). The focus of this report is the release of the first beta version of the web-based application for model use and collaboration, as well as an update on the FHR model. The web-based application allows novice users to configure end-to-end system models from preconfigured choices to investigate the instrumentation and controls implications of these designs and allows for the collaborative development of individual component models that can be benchmarked against test systems for potential inclusion in the model library. A description of this application is provided along with examples of its use and a listing and discussion of all the models that currently exist in the library.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Searching for Parton Energy Loss in Quark-Gluon Plasma Droplets (Technical Report)

This technical report summarizes the main accomplishments of the research performed under the U.S. Department of Energy (DOE) Office of Science, Early Career Award (ECA), grant number DE-SC0018117, from 9/1/2017 to 8/31/2022, with Prof. Dennis Perepelitsa as the single PI. The grant proposal was to investigate the quark-gluon plasma (QGP) created in ultrarelativistic collisions of large nuclei with the ATLAS experiment at the Large Hadron Collider (LHC) and to prepare for this physics with the sPHENIX experiment at the Relativistic Heavy Ion Collider (RHIC). In particular, the focus was on QGP regions of different sizes and shapes, including the tradtional “large” collision systems such as Pb+Pb as well as small collision systems such as p+Pb, where there has been evidence of QGP “flow” but not yet the accompanying energy loss from hard-scattered partons traversing the QGP medium. Additionally, a particular tool was the use of photon+jet events, where the photon is unaffected by the QGP and thus serves as the “control” while the jet (the result of parton fragmentation) is the “probe” of the QGP. The research was successfully carried out, resulting in over ten publications of experimental measurements in peer-reviewed journals, and the significant training of junior scientists.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1981

The effect of concentrator field layout on the EE-1 small community solar power system

The point-focusing distributed receiver (PFDR) concept is employed by a number of solar thermal power systems currently under development. One type of PFDR system which shows particular promise incorporates distributed energy generation. According to this concept each parabolic dish collector is a self-contained power generation module, and a conventional electrical system is used to interconnect the modules. The concept is thus modular, and any number of power modules can be combined to achieve the required plant size. Given the benefits of mass production, it appears that this type of system can produce electricity at lower cost than is projected for conventional (fossil) power systems over the next decade. An employment of organic Rankine cycle heat engines is considered.

Pons, R. L.↗
NASA NTRS1984

Analysis of flow dynamics through small diameter gas sampling systems

The removal of gas material through a capillary opening in a surface is analyzed. The gas, from which the sample is removed, is moving past the surface at supersonic velocities. A variety of possible conditions of temperature, pressure and composition are discussed in an effort to emulate conditions that might be found at the surface of a vehicle traversing the altitude range 100-50 km, or might exist at the surface of a model in the stream of a high enthalpy wind tunnel. Aspects discussed include: (1) the throughput of the capillary for conditions of different lengths and different L/a (length/radius) ratios; (2) the total throughput when the surface in question contains many hundreds of these capillaries; (3) the effect of the capillaries upon the composition of the analyzed gas; (4) the effect of the capillary or capillaries upon the gas stream itself; and (5) the implications of the calculations upon the possible implementation of this type of device as an inlet for a mass spectrometer to be developed for analyzing the upper atmosphere.

Brown, K. G.↗
NASA NTRS1992

CPL Materials Life Cycle Test Facility

The Capillary Pumped Loop (CPL) Materials Life Cycle Test Facility at the Goddard Space Flight Center (GSFC) will identify the operational parameters controlling the performance of a CPL over an extended period of time. The primary purpose of the facility is to investigate the long-term chemical compatibility between the anhydrous ammonia working fluid and the CPL materials of construction. Chemical reactions occurring within the system may produce non-condensable gases or particulate debris that can lead to a degradation in system performance. Small liquid samples will be drawn from the system at specific time intervals and analyzed to check for the presence of non-condensable gases. Periodic maximum and minimum heat load tests will be performed on the CPL to monitor trends in the overall system performance.

Buchko, Matthew T.↗
NASA NTRS1997

Analysis of a Small Vigorous Mesoscale Convective System in a Low-Shear Environment: Formation, Echo Structure and Lightning Behavior - Pt. 1

The precipitation output was highly variable due to the transient nature of the intense convective elements. This result is attributed to the high Richardson number (175) of the environment, which is much higher than that of the typical MCS environment. The development of the stratiform precipitation was accomplished locally (in situ), and not be advection of from the convective region. In situ charging of the stratiform region is also supported by the observations.

Knupp, Kevin↗