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DOE OSTI2019

Multi-Physics Simulations of Heat Pipe Micro Reactor

System Analysis Module (SAM) is under development at Argonne National Laboratory as a modern system-level modeling and simulation tool for advanced non-light water reactor safety analyses. It utilizes the object-oriented application framework MOOSE to leverage the modern software environment and advanced numerical methods. The capabilities of SAM are being extended to enable the transient modeling, analysis, and design of various advanced nuclear reactor systems. This report presents the development of new capabilities for modeling the heat pipe type reactor systems. The need for power at remote locations away from a reliable electrical grid is an important niche for nuclear energy. Heat pipe-cooled fast-spectrum nuclear reactors are well suited for these applications. The key feature of the heat pipe reactors is the use of heat pipes for heat removal from the reactor core. The heat pipe makes use of the phase change of the working fluid and transports a large amount of heat from the evaporator to the condensation end with very small temperature drops. In contrast to the traditional nuclear reactor system that makes use of pumped loop for extracting the thermal power, the heat pipe reactors make use of hundreds of heat pipes for removing the thermal power (including the decay heat) passively. This could potentially significantly improve the reliability and safety of the reactor systems. The essential part in the analysis of a heat pipe type reactor is the modeling of heat transport inside the heat pipe. The capability of SAM was extended to enable the modeling of the conventional heat pipe. The full suite of non-LWR codes for confirmatory analysis at NRC is known as the Comprehensive Reactor Analysis Bundle (CRAB). It makes use of existing NRC codes, and integrates them with several codes developed through the DOE-NE’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. In this report, the heat pipe micro reactor is simulated using three submodules under CRAB. The MAMMOTH module is used to simulate the reactor kinetics behavior of the micro reactor; the SAM module is used to simulate the heat conduction in the reactor core and heat removal through the heat pipe heat exchangers and Reactor Cavity Cooling System (RCCS); and the MOOSE Tensor Mechanics module is used to simulate the thermal expansion of the reactor cores. The different sub-models are coupled together using MOOSE’s MultiApp system and executed using the BlueCrab application. The new capability has been demonstrated by a steady-state operation analysis, a failure of a single central heat pipe transient analysis, and a loss of heat sink transient analysis. The fully coupled model is shown to work well.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2012

DEVELOPMENT OF 20 IEER ROOFTOP UNITS A SIMULATION STUDY

Based on detailed steady-state system and component modeling, we developed a rooftop unit system design, which is able to achieve IEER (Integrated Energy Efficiency Ratio) higher than 20. We modeled fin-&-tube and micro-channel heat exchangers using segment-to-segment approach, and use ARI 10-coefficient compressor map to simulate compressor performance. The system modeling is based on a component-based modeling approach, which facilitates flexible simulation of complicated system configurations. Starting with a baseline system having IEER of 16.6, we extensively investigated numerous technical options, i.e. varying compressor sizes, heat exchanger fin densities, fin-&-tube or micro-channel heat exchanger, suction line heat exchanger, desiccant wheel, tandem compressor, variable-speed compressor, and condenser evaporative pre-cooling; and developed an innovative system configuration combining a tandem compression system with a variable-speed compression system. The combined system can achieve high IEER as well as process the outdoor ventilation air over an extensive range. We successfully evaluated the design concept for a 20-ton unit as well as a 10-ton unit. All the selected components are readily accessible on the market, and we validated the performance predictions against existing RTU products at the rating condition. This paper illustrates a potentially cost-effective high IEER RTU design.

Modeling↗

DOE OSTI2012

Antitumor Activity of Peptide Amphiphile Nanofiber-Encapsulated Camptothecin

Self-assembling peptide amphiphile (PA) nanofibers were used to encapsulate camptothecin (CPT), a naturally occurring hydrophobic chemotherapy agent, using a solvent evaporation technique. Encapsulation by PA nanofibers was found to improve the aqueous solubility of the CPT molecule by more than 50-fold. PAs self-assembled into nanofibers in the presence of CPT as demonstrated by transmission electron microscopy. Small-angle X-ray scattering results suggest a slight increase in diameter of the nanofiber to accommodate the hydrophobic cargo. In vitro studies using human breast cancer cells show an enhancement in antitumor activity of the CPT when encapsulated by the PA nanofibers. In addition, using a mouse orthotopic model of human breast cancer, treatment with PA nanofiber-encapsulated CPT inhibited tumor growth. These results highlight the potential of this model PA system to be adapted for delivery of hydrophobic therapies to treat a variety of diseases including cancer.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Numerical simulation of evaporating wavy falling liquid films in laminar gas streams

Numerical simulations are performed to investigate the interfacial heat and mass transfer from evaporating wavy falling liquid films in interaction with laminar gas streams. The OpenFOAM solver has been used to conduct the simulations where the liquid-gas interface is resolved using the Volume of Fluid method of solving for three phases, i.e., liquid, vapor, and air. The configuration considered is a falling liquid (water) film on a heated vertical plate with a confined laminar moist air (gas) flow that is either (a) co-current or (b) counter-current to the downward liquid flow. The evaporation at the liquid-gas interface is driven by the interfacial gradient of the vapor mass fraction. Interfacial waves are triggered using a monochromatic forcing disturbance that leads to sinusoidal or solitary waves forming at the liquid-gas interface under respective forcing frequencies. Further, the numerical model is validated with the available experimental data. The results show nearly a 15% enhancement in time-averaged Sherwood number (Sh) due to film waviness (sinusoidal or solitary) at the lower volumetric gas flow rate, Q g = +50 (co-current) and Q g = -50 (counter-current). This enhancement in the Sh for both the waves further increases by 11% with Q g = +800 and 196% with Q g = -800. A closer examination of the mass transfer process over a wave demonstrates that with Q g = +50, the concentration of the gas side streamlines at the trough locations of the wave leads to higher values of Sh at these locations. However, with Q g = +800, although the overall Sh increases, vortices appear at the wave trough locations, leading to a corresponding decrease in the local Sh values. Correlations are proposed for predicting Sh under co-current and counter-current gas flow effects.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Present-day and future Antarctic ice sheet climate and surface mass balance in the Community Earth System Model

Here, we present climate and surface mass balance (SMB) of the Antarctic ice sheet (AIS) as simulated by the global, coupled ocean–atmosphere–land Community Earth System Model (CESM) with a horizontal resolution of ~1° in the past, present and future (1850–2100). CESM correctly simulates present-day Antarctic sea ice extent, large-scale atmospheric circulation and near-surface climate, but fails to simulate the recent expansion of Antarctic sea ice. The present-day Antarctic ice sheet SMB equals 2280 ± 131Gtyear –1 , which concurs with existing independent estimates of AIS SMB. When forced by two CMIP5 climate change scenarios (high mitigation scenario RCP2.6 and high-emission scenario RCP8.5), CESM projects an increase of Antarctic ice sheet SMB of about 70 Gtyear –1 per degree warming. This increase is driven by enhanced snowfall, which is partially counteracted by more surface melt and runoff along the ice sheet’s edges. This intensifying hydrological cycle is predominantly driven by atmospheric warming, which increases (1) the moisture-carrying capacity of the atmosphere, (2) oceanic source region evaporation, and (3) summer AIS cloud liquid water content.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2017

Intercomparison of Soil Moisture, Evaporative Stress, and Vegetation Indices for Estimating Corn and Soybean Yields Over the U.S.

This paper presents an intercomparative study of 12 operationally produced large-scale datasets describing soil moisture, evapotranspiration (ET), and or vegetation characteristics within agricultural regions of the contiguous United States (CONUS). These datasets have been developed using a variety of techniques, including, hydrologic modeling, satellite-based retrievals, data assimilation, and survey in-field data collection. The objectives are to assess the relative utility of each dataset for monitoring crop yield variability, to quantitatively assess their capacity for predicting end-of-season corn and soybean yields, and to examine the evolution of the yield-index correlations during the growing season. This analysis is unique both with regards to the number and variety of examined yield predictor datasets and the detailed assessment of the water availability timing on the end-of-season crop production during the growing season. Correlation results indicate that over CONUS, at state-level soil moisture and ET indices can provide better information for forecasting corn and soybean yields than vegetation-based indices such as normalized difference vegetation index. The strength of correlation with corn and soybean yields strongly depends on the interannual variability in yield measured at a given location. In this case study, some of the remotely derived datasets examined provide skill comparable to that of in situ field survey-based data further demonstrating the utility of these remote sensing-based approaches for estimating crop yield.

evapotranspiration↗

DOE OSTI2023

Effects of Wind Shear and Aerosol Conditions on the Organization of Precipitating Marine Stratocumulus Clouds

Here this study examines how wind shear affects precipitating marine stratocumulus clouds under different cloud droplet number concentrations (N d ). We performed a series of large eddy simulations (LES) of nocturnal marine stratocumulus clouds using Cloud Model 1 (CM1). The simulations show that N d is the dominant factor for cloud cellular organization in this cloud regime rather than wind shear. Low N d characterizes the open cellular structure with a high in-cloud liquid water path (LWP). When wind shear is increased, the cloud fraction tends to decrease along with LWP, suggesting the cloud top region is significantly influenced by the entrainment and mixing of dry air from the free troposphere. We also examine cold pools in open and closed cellular clouds. Open-cell clouds produce larger and deeper cold pools compared to closed-cell clouds. Interestingly, cold pools can exist without surface precipitation and are produced by evaporation of light precipitation (drizzle) below the cloud base with weak downdrafts. The evaporation of raindrops and drizzle play an important role in initiating new convection, particularly where colliding outflows occur downstream of the cloud. This secondary convection contributes to the development and maintenance of the cloud cellular organization and formation.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2014

Characterization of the Praesepe star cluster by photometry and proper motions with 2MASS, PPMXL, and Pan-STARRS

Membership identification is the first step in determining the properties of a star cluster. Low-mass members in particular could be used to trace the dynamical history, such as mass segregation, stellar evaporation, or tidal stripping, of a star cluster in its Galactic environment. We identified member candidates of the intermediate-age Praesepe cluster (M44) with stellar masses ∼0.11-2.4 M {sub ☉}, using Panoramic Survey Telescope And Rapid Response System and Two Micron All Sky Survey photometry, and PPMXL proper motions. Within a sky area of 3° radius, 1040 candidates are identified, of which 96 are new inclusions. Using the same set of selection criteria on field stars, an estimated false positive rate of 16% was determined, suggesting that 872 of the candidates are true members. This most complete and reliable membership list allows us to favor the BT-Settl model over other stellar models. The cluster shows a distinct binary track above the main sequence, with a binary frequency of 20%-40%, and a high occurrence rate of similar mass pairs. The mass function is consistent with that of the disk population but shows a deficit of members below 0.3 solar masses. A clear mass segregation is evidenced, with the lowest-mass members in our sample being evaporated from this disintegrating cluster.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2007

Clouds in GEOS-5

The GEOS-5 atmospheric model is being developed as a weather-and-climate capable model. It must perform well in assimilation mode as well as in weather and climate simulations and forecasts and in coupled chemistry-climate simulations. In developing GEOS-5, attention has focused on the representation of moist processes. The moist physics package uses a single phase prognostic condensate and a prognostic cloud fraction. Two separate cloud types are distinguished by their source: "anvil" cloud originates in detraining convection, and large-scale cloud originates in a PDF-based condensation calculation. Ice and liquid phases for each cloud type are considered. Once created, condensate and fraction from the anvil and statistical cloud types experience the same loss processes: evaporation of condensate and fraction, auto-conversion of liquid or mixed phase condensate, sedimentation of frozen condensate, and accretion of condensate by falling precipitation. The convective parameterization scheme is the Relaxed Arakawa-Schubert, or RAS, scheme. Satellite data are used to evaluate the performance of the moist physics packages and help in their tuning. In addition, analysis of and comparisons to cloud-resolving models such as the Goddard Cumulus Ensemble model are used to help improve the PDFs used in the moist physics. The presentation will show some of our evaluations including precipitation diagnostics.

Bacmeister, Julio↗

DOE OSTI2016

Effect of progressively increasing lithium conditioning on edge transport and stability in high triangularity NSTX H-modes

A sequence of H-mode discharges with increasing levels of pre-discharge lithium evaporation (‘dose’) was conducted in high triangularity and elongation boundary shape in NSTX. Energy confinement increased, and recycling decreased with increasing lithium dose, similar to a previous lithium dose scan in medium triangularity and elongation plasmas. Data-constrained SOLPS interpretive modeling quantified the edge transport change: the electron particle diffusivity decreased by 10-30x. The electron thermal diffusivity decreased by 4x just inside the top of the pedestal, but increased by up to 5x very near the separatrix. These results provide a baseline expectation for lithium benefits in NSTX-U, which is optimized for a boundary shape similar to the one in this experiment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Reduction of the neutron imaginary potential off the stability line and its possible impact on neutron capture rates

The effect of the isovector imaginary optical potential has been studied experimentally by using the particle-evaporation technique for the 11 B + 48 Ca reaction with a 21.8 MeV 11 B beam. Spectra of neutron, proton, and α particles emitted from the neutron-rich compound nucleus 59 Mn have been measured and analyzed with traditional optical model potentials with their original parametrizations as well as with adjusted isovector imaginary components. It is shown that the isovector component of the imaginary potential is indispensable in the reproduction of proton and α-particle yields from this reaction and even needs to be enhanced compared with the suggestions of the original model parametrizations. Furthermore, this can lead to important consequences for astrophysical reaction-rate calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2015

Modeling of internal and near-nozzle flow for a GDI fuel injector

A numerical study of two-phase flow inside the nozzle holes and the issuing spray jets for a multi-hole direct injection gasoline injector has been presented in this work. The injector geometry is representative of the Spray G nozzle, an eight-hole counterbore injector, from the Engine Combustion Network (ECN). Simulations have been carried out for a fixed needle lift. Effects of turbulence, compressibility and non-condensable gases have been considered in this work. Standard k -ε turbulence model has been used to model the turbulence. Homogeneous Relaxation Model (HRM) coupled with Volume of Fluid (VOF) approach has been utilized to capture the phase change phenomena inside and outside the injector nozzle. Three different boundary conditions for the outlet domain have been imposed to examine non-flashing and evaporative, non-flashing and non-evaporative and flashing conditions. Noticeable hole-to-hole variations have been observed in terms of mass flow rates for all the holes under all the operating conditions considered in this study. Inside the nozzle holes mild cavitation-like and in the near-nozzle region flash boiling phenomena have been predicted when liquid fuel is subjected to superheated ambiance. Under favorable conditions considerable flashing has been observed in the near-nozzle regions. An enormous volume is occupied by the gasoline vapor, stantial computational cost. Volume-averaging instead of mass-averaging is observed to be more effective, especially for finer mesh resolutions.

42 ENGINEERING↗

DOE OSTI2016

Effect of progressively increasing lithium conditioning on edge transport and stability in high triangularity NSTX H-modes

A sequence of H-mode discharges with increasing levels of pre-discharge lithium evaporation (dose) was conducted in high triangularity and elongation boundary shape in NSTX. Energy confinement increased, and recycling decreased with increasing lithium dose, similar to a previous lithium dose scan in medium triangularity and elongation plasmas. Data-constrained SOLPS interpretive modeling quantified the edge transport change: the electron particle diffusivity decreased by 10-30x. The electron thermal diffusivity decreased by 4x just inside the top of the pedestal, but increased by up to 5x very near the separatrix. These results provide a baseline expectation for lithium benefits in NSTX-U, which is optimized for a boundary shape similar to the one in this experiment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1972

A note on mass loss during collisions between galaxies and the formation of giant systems.

Stars will be liberated from the outer portions of galaxies which interact tidally. Using models based on the density distribution observed in the E1 galaxy NGC 3379, the mass loss is computed for hyperbolic collisions on an approximate but conservative basis. Binary collisions are then summed to show that large numbers of stars will be evaporated from elliptical members of dense clusters of galaxies. An estimate of one trillion solar masses is obtained for the amount of material dispersed in the Coma cluster, and in rich very dense systems (Morgan's Type I) the large amount of tidally dispersed debris may constitute the centrally located galaxies designated cD systems which often dominate these clusters.

Gallagher, J. S., III↗

NASA NTRS1988

Supernova remnants and the interstellar medium - Constraints from cosmic-ray acceleration

The reacceleration rate of cosmic rays by supernova (SN) remnants is calculated and expressed in terms of the parameters determining the cosmic ray model and the SN expansion. It is shown that the constraint on reacceleration derived from the B/C data leads to constraint on the expansion of SN remnants in the ISM and on the effective density of ISM. The effect of cloud evaporation is estimated and the expansion rate of supernova remnants, cosmic ray reacceleration, and the state of the ISM are solved for simultaneously. In the resulting self-consistent solution, SN remnants produce a reacceleration rate and an effective acceleration shock strength which is consistent with the values indicated by the cosmic ray data.

Wandel, A.↗

NASA NTRS1991

Deuterium and hydrogen flows in the thermosphere

Processes that affect vertical distributions and flows of deuterium and hydrogen between 100 and 500 km in the daytime thermosphere are investigated using a steady state numerical model that includes HD and H2 molecular flows, relevant chemistry, and transport by both molecular and eddy diffusion. The results of calculations indicate that the outward thermospheric fuxes and, hence, the planetary loss rates for D must be large compared to evaporative escape (as is also the case for H), confirming the suggestion of Breig et al. (1987). Results of measurements of H in the mesosphere and lower thermosphere and of H and D in the thermosphere were used to derive upward fluxes through the daytime thermosphere, showing that the upward fluxes exceeded the corresponding Jeans evaporative escape rates by factors of about 5 for H, and greater than 500 for D.

Breig, E. L.↗

NASA NTRS1999

Precipitation Recycling in the NASA GEOS Data Assimilation System

Analysis of precipitation recycling can improve the understanding of regional hydrologic anomalies, especially their evolution and maintenance. Diagnostic models of the recycling of precipitation and are applied to 15 years of the NASA Goddard Earth Observing System (GEOS) Data Assimilation System (DAS). Recycled precipitation is defined as the fraction of precipitation within a given region that originated as surface evaporation from the same region. The focus of the present work is on the interannual variability of the central United States hydrologic cycle and precipitation recycling. The extreme years of 1988 (drought) and 1993 (flood) are compared with the 15 year base period mean annual cycle. The results indicate that recycling ratio (the amount of precipitation with a local source relative to the total precipitation) is greater in 1988 than both the base period mean and the 1993 season (with 1993 recycling ratio less than the mean). On the other hand, both the summers of 1988 and 1993 show less total recycled precipitation than the mean. The results also show that precipitation recycling may have been more important in the spring of 1993, when the region was primed for flooding, than the summer, when the sever flooding occurred. The diagnostic approaches to precipitation recycling suffer from some weaknesses. Numerical simulations and assimilation using passive tracers have the potential to provide more accurate calculations of precipitation recycling and the remote sources of water. This ability is being incorporated into the latest GEOS data assimilation system, and some preliminary results will be presented.

Bosilovich, Michael G.↗

NASA NTRS2001

Validation of NASA Thermal Ice Protection Computer Codes: The Validation of Antice - Part 3

An experimental program was generated by the Icing Technology Branch at NASA Glenn Research Center to validate two ice protection simulation codes: (1) LEWICE/Thermal for transient electrothermal de-icing and anti-icing simulations, and (2) ANTICE for steady state hot gas and electrothermal anti-icing simulations. An electrothermal ice protection system was designed and constructed integral to a 36 inch chord NACA0012 airfoil. The model was fully instrumented with thermo-couples, RTD'S, and heat flux gages. Tests were conducted at several icing environmental conditions during a two week period at the NASA Glenn Icing Research Tunnel. Experimental results of running-wet and evaporative cases were compared to the ANTICE computer code predictions and are presented in this paper.

Al-Khalil, Kamel M.↗