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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 OSTI2019

Subgrid variations of the cloud water and droplet number concentration over the tropical ocean: satellite observations and implications for warm rain simulations in climate models

Abstract. One of the challenges in representing warm rain processes in global climate models (GCMs) is related to the representation of the subgrid variability of cloud properties, such as cloud water and cloud droplet number concentration (CDNC), and the effect thereof on individual precipitation processes such as autoconversion. This effect is conventionally treated by multiplying the resolved-scale warm rain process rates by an enhancement factor ( E q ) which is derived from integrating over an assumed subgrid cloud water distribution. The assumed subgrid cloud distribution remains highly uncertain. In this study, we derive the subgrid variations of liquid-phase cloud properties over the tropical ocean using the satellite remote sensing products from Moderate Resolution Imaging Spectroradiometer (MODIS) and investigate the corresponding enhancement factors for the GCM parameterization of autoconversion rate. We find that the conventional approach of using only subgrid variability of cloud water is insufficient and that the subgrid variability of CDNC, as well as the correlation between the two, is also important for correctly simulating the autoconversion process in GCMs. Using the MODIS data which have near-global data coverage, we find that E q shows a strong dependence on cloud regimes due to the fact that the subgrid variability of cloud water and CDNC is regime dependent. Our analysis shows a significant increase of E q from the stratocumulus (Sc) to cumulus (Cu) regions. Furthermore, the enhancement factor E N due to the subgrid variation of CDNC is derived from satellite observation for the first time, and results reveal several regions downwind of biomass burning aerosols (e.g., Gulf of Guinea, east coast of South Africa), air pollution (i.e., East China Sea), and active volcanos (e.g., Kilauea, Hawaii, and Ambae, Vanuatu), where the E N is comparable to or even larger than E q , suggesting an important role of aerosol in influencing the E N . MODIS observations suggest that the subgrid variations of cloud liquid water path (LWP) and CDNC are generally positively correlated. As a result, the combined enhancement factor, including the effect of LWP and CDNC correlation, is significantly smaller than the simple product of E q ∙ E N . Given the importance of warm rain processes in understanding the Earth's system dynamics and water cycle, we conclude that more observational studies are needed to provide a better constraint on the warm rain processes in GCMs.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2015

GPU-based simulation of the two-dimensional unstable structure of gaseous oblique detonations

In this paper, the two-dimensional structure of unstable oblique detonations induced by the wedge from a supersonic combustible gas flow is simulated using the reactive Euler equations with a one-step Arrhenius chemistry model. A wide range of activation energy of the combustible mixture is considered. Computations are performed on the Graphical Processing Unit (GPU) to reduce the simulation runtimes. A large computational domain covered by a uniform mesh with high grid resolution is used to properly capture the development of instabilities and the formation of different transverse wave structures. After the initiation point, where the oblique shock transits into a detonation, an instability begins to manifest and in all cases, the left-running transverse waves first appear, followed by the subsequent emergence of right-running transverse waves forming the dual-head triple point structure. This study shows that for low activation energies, a long computational length must be carefully considered to reveal the unstable surface due to the slow growth rate of the instability. For high activation energies, the flow behind the unstable oblique detonation features the formation of unburnt gas pockets and strong vortex-pressure wave interaction resulting in a chaotic-like vortical structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Marine ice sheet experiments with the Community Ice Sheet Model

Ice sheet models differ in their numerical treatment of dynamical processes. Simulations of marine-based ice are sensitive to the choice of Stokes flow approximation and basal friction law and to the treatment of stresses and melt rates near the grounding line. We study the effects of these numerical choices on marine ice sheet dynamics in the Community Ice Sheet Model (CISM). In the framework of the Marine Ice Sheet Model Intercomparison Project 3d (MISMIP3d), we show that a depth-integrated, higher-order solver gives results similar to a 3D (Blatter–Pattyn) solver. We confirm that using a grounding line parameterization to approximate stresses in the grounding zone leads to accurate representation of ice sheet flow with a resolution of ~2 km, as opposed to ~0.5 km without the parameterization. In the MISMIP+ experimental framework, we compare different treatments of sub-shelf melting near the grounding line. In contrast to recent studies arguing that melting should not be applied in partly grounded cells, it is usually beneficial in CISM simulations to apply some melting in these cells. This suggests that the optimal treatment of melting near the grounding line can depend on ice sheet geometry, forcing, or model numerics. In both experimental frameworks, ice flow is sensitive to the choice of basal friction law. To study this sensitivity, we evaluate friction laws that vary the connectivity between the basal hydrological system and the ocean near the grounding line. CISM yields accurate results in steady-state and perturbation experiments at a resolution of ~2 km (arguably 4 km) when the connectivity is low or moderate and ~1 km (arguably 2 km) when the connectivity is strong.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Coupling a three-dimensional subsurface flow and transport model with a land surface model to simulate stream–aquifer–land interactions (CP v1.0)

Abstract. A fully coupled three-dimensional surface and subsurface land model is developed and applied to a site along the Columbia River to simulate three-way interactions among river water, groundwater, and land surface processes. The model features the coupling of the Community Land Model version 4.5 (CLM4.5) and a massively parallel multiphysics reactive transport model (PFLOTRAN). The coupled model, named CP v1.0, is applied to a 400 m × 400 m study domain instrumented with groundwater monitoring wells along the Columbia River shoreline. CP v1.0 simulations are performed at three spatial resolutions (i.e., 2, 10, and 20 m) over a 5-year period to evaluate the impact of hydroclimatic conditions and spatial resolution on simulated variables. Results show that the coupled model is capable of simulating groundwater–river-water interactions driven by river stage variability along managed river reaches, which are of global significance as a result of over 30 000 dams constructed worldwide during the past half-century. Our numerical experiments suggest that the land-surface energy partitioning is strongly modulated by groundwater–river-water interactions through expanding the periodically inundated fraction of the riparian zone, and enhancing moisture availability in the vadose zone via capillary rise in response to the river stage change. Meanwhile, CLM4.5 fails to capture the key hydrologic process (i.e., groundwater–river-water exchange) at the site, and consequently simulates drastically different water and energy budgets. Furthermore, spatial resolution is found to significantly impact the accuracy of estimated the mass exchange rates at the boundaries of the aquifer, and it becomes critical when surface and subsurface become more tightly coupled with groundwater table within 6 to 7 meters below the surface. Inclusion of lateral subsurface flow influenced both the surface energy budget and subsurface transport processes as a result of river-water intrusion into the subsurface in response to an elevated river stage that increased soil moisture for evapotranspiration and suppressed available energy for sensible heat in the warm season. The coupled model developed in this study can be used for improving mechanistic understanding of ecosystem functioning and biogeochemical cycling along river corridors under historical and future hydroclimatic changes. The dataset presented in this study can also serve as a good benchmarking case for testing other integrated models.

58 GEOSCIENCES↗
DOE OSTI2017

Coupling a three-dimensional subsurface flow and transport model with a land surface model to simulate stream–aquifer–land interactions (CP v1.0)

A fully coupled three-dimensional surface and subsurface land model is developed and applied to a site along the Columbia River to simulate three-way interactions among river water, groundwater, and land surface processes. The model features the coupling of the Community Land Model version 4.5 (CLM4.5) and a massively parallel multiphysics reactive transport model (PFLOTRAN). The coupled model, named CP v1.0, is applied to a 400 m × 400 m study domain instrumented with groundwater monitoring wells along the Columbia River shoreline. CP v1.0 simulations are performed at three spatial resolutions (i.e., 2, 10, and 20 m) over a 5-year period to evaluate the impact of hydroclimatic conditions and spatial resolution on simulated variables. Results show that the coupled model is capable of simulating groundwater–river-water interactions driven by river stage variability along managed river reaches, which are of global significance as a result of over 30 000 dams constructed worldwide during the past half-century. Our numerical experiments suggest that the land-surface energy partitioning is strongly modulated by groundwater–river-water interactions through expanding the periodically inundated fraction of the riparian zone, and enhancing moisture availability in the vadose zone via capillary rise in response to the river stage change. Meanwhile, CLM4.5 fails to capture the key hydrologic process (i.e., groundwater–river-water exchange) at the site, and consequently simulates drastically different water and energy budgets. Furthermore, spatial resolution is found to significantly impact the accuracy of estimated the mass exchange rates at the boundaries of the aquifer, and it becomes critical when surface and subsurface become more tightly coupled with groundwater table within 6 to 7 meters below the surface. Inclusion of lateral subsurface flow influenced both the surface energy budget and subsurface transport processes as a result of river-water intrusion into the subsurface in response to an elevated river stage that increased soil moisture for evapotranspiration and suppressed available energy for sensible heat in the warm season. The coupled model developed in this study can be used for improving mechanistic understanding of ecosystem functioning and biogeochemical cycling along river corridors under historical and future hydroclimatic changes. The dataset presented in this study can also serve as a good benchmarking case for testing other integrated models.

58 GEOSCIENCES↗
DOE OSTI2014

Functional approach to exploring climatic and landscape controls of runoff generation: 1. Behavioral constraints on runoff volume

Abstract Inspired by the Dunne diagram, the climatic and landscape controls on the partitioning of annual runoff into its various components (Hortonian and Dunne overland flow and subsurface stormflow) are assessed quantitatively, from a purely theoretical perspective. A simple distributed hydrologic model has been built sufficient to simulate the effects of different combinations of climate, soil, and topography on the runoff generation processes. The model is driven by a sequence of simple hypothetical precipitation events, for a large combination of climate and landscape properties, and hydrologic responses at the catchment scale are obtained through aggregation of grid‐scale responses. It is found, first, that the water balance responses, including relative contributions of different runoff generation mechanisms, could be related to a small set of dimensionless similarity parameters. These capture the competition between the wetting, drying, storage, and drainage functions underlying the catchment responses, and in this way, provide a quantitative approximation of the conceptual Dunne diagram. Second, only a subset of all hypothetical catchment/climate combinations is found to be “behavioral,” in terms of falling sufficiently close to the Budyko curve, describing mean annual runoff as a function of climate aridity. Furthermore, these behavioral combinations are mostly consistent with the qualitative picture presented in the Dunne diagram, indicating clearly the commonality between the Budyko curve and the Dunne diagram. These analyses also suggest clear interrelationships amongst the “behavioral” climate, soil, and topography parameter combinations, implying these catchment properties may be constrained to be codependent in order to satisfy the Budyko curve.

Li, Hong‐Yi↗
DOE OSTI2018

Relativistic Modeling Capabilities in Perseus Extended MHD Simulation Code for HED Plasmas

This project is submitted in response to DE-FOA-0001153, and will be carried out by Dr. Charles Seyler and Dr. Nathaniel Hamlin as post doc under the direction of Professor Seyler. The objectives are to enable PERSEUS to self-consistently model relativistic high-energy-density (HED) laboratory and astrophysical phenomena. Electrons and ions in a plasma are generally modeled either as fluids using a two-fluid code, like PERSEUS, or as particles using a Particle-In- Cell (PIC) code. Nonrelativistic PERSEUS solves the two-fluid equations, formulated in terms of a generalized Ohm’s law (GOL), so as to model about nine orders of magnitude in density variation using a local semi-implicit method. Relativistic PERSEUS preserves this structure and therefore retains these advantageous properties, enabling it to model a broader range of relativistic HED phenomena than previous codes. We have also overcome a major technical challenge associated with solving a relativistic system of equations relating conserved quantities (momentum, energy, etc.) to primitive variables (density, velocity, and pressure). We have thus far developed a relativistic version of PERSEUS and demonstrated that it recovers expected nonrelativistic results. We are currently using relativistic PERSEUS to model two HED phenomena, namely laser-plasma interactions and X-pinches, both of which show spectroscopic evidence of relativistic electrons. In an X-pinch, a section of wire carrying sufficiently large current forms a plasma column that pinches down to a point-like source, generating X-rays for use in radiographic imaging. Laser-plasma interactions have been simulated using PIC codes, and we use their results as a benchmark for comparison. However, neither PIC codes nor existing two-fluid schemes can simulate X-pinches, due to the broad range of densities which have thus far made such a simulation computationally prohibitive. In both laser-plasma interaction and Xpinch simulations, we have observed relativistic phenomena that PERSEUS could not previously model. This includes relativistic channeling of a laser into an over-dense deuterium gas (i.e. induced transparency), consistent with PIC simulation results, along with energetic electrons and ions following an X-pinch and likely accompanied by strong X-ray emission, consistent with experimental observations of energetic X-rays. This proposal includes our latest simulation results. We will improve computational efficiency with techniques that allow the use of a less refined numerical grid. This will enable extensions to three-dimensional geometries. We will improve modeling of laser-plasma interactions and X-pinches, including radiative transport processes, in order to improve comparisons with PIC simulations and experimental diagnostics. We will also model power loss through electrode surface plasmas in magnetically insulated transmission lines (MITLs). We will model relativistic astrophysical phenomena in both astrophysical and HED regimes, which could shed light on the validity of laboratory astrophysics for certain problems. These phenomena are currently modeled using PIC codes and existing relativistic two-fluid codes, neither of which can model the range of length scales of which relativistic PERSEUS is capable. There is strong potential for this project to have a broad impact on both the astrophysical and laboratory plasma communities. In the laboratory community, our work is applicable to those concerned with laser-plasma interactions such as laser-driven fusion, and those in the dense Z pinch community concerned with X-pinches and electrode surface plasmas. An improved understanding of the mechanisms of hard (i.e. high-energy) X-ray generation will likely make important contributions toward the use of X-pinches for radiography through the harnessing or mitigation of hard X-rays, depending on the application. The modeling of electrode surface plasmas, including vacuum electron flow, will improve our understanding of power loss to various loads.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Search for stealth supersymmetry in final states with two photons, jets, and low missing transverse momentum in proton-proton collisions at s = 13 TeV

The results of a search for stealth supersymmetry in final states with two photons and jets, targeting a phase space region with low missing transverse momentum ( p T miss ), are reported. The study is based on a sample of proton-proton collisions at s = 13 TeV collected by the CMS experiment, corresponding to an integrated luminosity of 138 fb - 1 . As LHC results continue to constrain the parameter space of the minimal supersymmetric standard model, the low p T miss regime is increasingly valuable to explore. To estimate the backgrounds due to standard model processes in such events, we apply corrections derived from simulation to an estimate based on a control selection in data. The results are interpreted in the context of simplified stealth supersymmetry models with gluino and squark pair production. The observed data are consistent with the standard model predictions, and gluino (squark) masses of up to 2150 (1850) GeV are excluded at the 95% confidence level.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Radiative transfer models for gamma-ray bursts

We present global radiative transfer models for heated relativistic jets. The simulations include all relevant radiative processes, starting deep in the opaque zone and following the evolution of radiation to and beyond the photosphere of the jet. The transfer models are compared to three gamma-ray bursts GRB 990123, GRB 090902B, and GRB 130427A, which have well-measured and different spectra. The models provide good fits to the observed spectra in all three cases, and we obtain estimates for the jet magnetization parameter ε{sub B} and the Lorentz factor Γ. In the small sample of three bursts, ε{sub B} varies between 0.01 and 0.05, and Γ varies between 300 and 1200.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Signatures of hypermassive neutron star lifetimes on r-process nucleosynthesis in the disc ejecta from neutron star mergers

We investigate the nucleosynthesis of heavy elements in the winds ejected by accretion discs formed in neutron star mergers. We compute the element formation in disc outflows from hypermassive neutron star (HMNS) remnants of variable lifetime, including the effect of angular momentum transport in the disc evolution. We employ long-term axisymmetric hydrodynamic disc simulations to model the ejecta, and compute r-process nucleosynthesis with tracer particles using a nuclear reaction network containing ~8000 species. We find that the previously known strong correlation between HMNS lifetime, ejected mass and average electron fraction in the outflow is directly related to the amount of neutrino irradiation on the disc, which dominates mass ejection at early times in the form of a neutrino-driven wind. Production of lanthanides and actinides saturates at short HMNS lifetimes (≲10 ms), with additional ejecta contributing to a blue optical kilonova component for longer-lived HMNSs. We find good agreement between the abundances from the disc outflow alone and the solar r-process distribution only for short HMNS lifetimes (≲10 ms). For longer lifetimes, the rare-earth and third r-process peaks are significantly underproduced compared to the solar pattern, requiring additional contributions from the dynamical ejecta. The nucleosynthesis signature from a spinning black hole (BH) can only overlap with that from an HMNS of moderate lifetime (≲60 ms). Finally, we show that angular momentum transport not only contributes with a late-time outflow component, but that it also enhances the neutrino-driven component by moving material to shallower regions of the gravitational potential, in addition to providing additional heating.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Impacts, processes and projections of the quasi-biennial oscillation

In the tropical stratosphere, deep layers of eastward and westward winds encircle the globe and descend regularly from the upper stratosphere to the tropical tropopause. With a complete cycle typically lasting almost 2.5 years, this quasi-biennial oscillation (QBO) is arguably the most predictable mode of atmospheric variability that is not linked to the changing seasons. Here, the QBO affects climate phenomena outside the tropical stratosphere, including ozone transport, the North Atlantic Oscillation and the Madden–Julian Oscillation, and its high predictability could enable better forecasts of these phenomena if models can accurately represent the coupling processes. Climate and forecasting models are increasingly able to simulate stratospheric oscillations resembling the QBO, but exhibit common systematic errors such as weak amplitude in the lowermost tropical stratosphere. Uncertainties about the waves that force the oscillation, particularly the momentum fluxes from small-scale gravity waves excited by deep convection, make its simulation challenging. Improved representation of the processes governing the QBO is expected to lead to better forecasts of the oscillation and its impacts, increased understanding of unusual events such as the two QBO disruptions observed since 2016, and more reliable future projections of QBO behaviour under climate change.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Advancing catalytic fast pyrolysis through integrated multiscale modeling and experimentation: Challenges, progress, and perspectives

Catalytic fast pyrolysis (CFP) is a conversion process that integrates rapid thermochemical depolymerization of solid feedstocks with catalytic transformation to yield small molecules for fuel and chemical products. This process is well-suited for the conversion of nonfossil feedstocks such as biomass and waste plastics, and thereby holds great potential for the production of renewable commodities. In spite of many technological developments in various aspects of CFP achieved over decades of research, this technology has yet to attain commercial success for the production of fuels and chemicals from renewable feedstocks. Effective CFP processes require careful coordination of chemical and physical phenomena that span very large length and time scales. A broad spectrum of scientific progress in both pyrolysis and catalytic upgrading has provided the foundation for successful deployment of CFP, although additional progress in process-scale integration is yet required for commercial realization. Modeling and simulation tools provide an important framework wherein the CFP technologies by be better understood and evaluated from a holistic perspective. Here we provide a detailed description of the multiscale phenomena underlying CFP, describe challenges and associated technical progress, and suggest strategies for an integrated approach to advance this technology toward commercialization.

09 BIOMASS FUELS↗
DOE OSTI2026

Impact of in situ nuclear networks and atomic opacities on neutron star merger ejecta dynamics, nucleosynthesis, and kilonovae

Context. Binary neutron star merger (BNSM) ejecta are key sites of rapid neutron capture (r-process) nucleosynthesis and they produce kilonovae powered by the radioactive decay of freshly synthesized nuclei. Modeling their evolution requires multi-physics simulations involving hydrodynamics, nuclear reactions, and radiative processes. The impact of nuclear burning and atomic opacity is poorly understood and often treated with simplified prescriptions. Aims. We systematically investigate different treatments of nuclear heating, particle thermalization, and atomic opacities in radiation-hydrodynamics simulations of BNSM ejecta and kilonova light curves. Methods. Ejecta profiles from long-term numerical-relativity simulations of asymmetric neutron star binaries with a massive neutron star remnant were evolved to ∼30 days using a 2D ray-by-ray approach. We compared simplified heating-rate and thermalization prescriptions with in situ Nuclear reaction Network (NN) calculations that track nuclear energy deposition and include a composition-dependent thermalization scheme. We also contrasted various gray opacity models with a frequency-dependent treatment based on atomic calculations. Results. Coupling NN and hydrodynamics significantly affects nucleosynthesis and kilonova emission. Assuming homologous expansion alters abundance evolution and produces a narrower, less populated second r-process peak and a third peak shifted to higher mass numbers. The back-reaction of nuclear heating affects the temperature evolution enough to delay and redden the early (t∼ hours) kilonova peaks. A constant thermalization efficiency underestimates and reddens the early emission while overestimating the late-time luminosity compared to the composition-dependent treatment. Analytical opacity prescriptions yield a more extended, colder photosphere, resulting in dimmer, redder kilonovae at early times (t≲ hour), while the delayed recession of the photosphere prolongs the red emission at t ≳ 5 days. Conclusions. Coupling hydrodynamics to an in situ NN is crucial for reliable nucleosynthesis and kilonova predictions. Resolving the first several hundred milliseconds of the hydrodynamics is essential for robust nucleosynthesis calculations. Composition-dependent thermalization and frequency-dependent, atomic-physics-based opacities are needed to accurately capture the temperature evolution of the ejecta and the brightness and color evolution of the kilonova. Calibrated analytic nuclear-power fits with simplified thermalization and opacity prescriptions can still reproduce the density and temperature evolution of the ejecta.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

Laser powder bed fusion additive manufacturing of metals; physics, computational, and materials challenges

The production of metal parts via laser powder bed fusion additive manufacturing is growing exponentially. However, the transition of this technology from production of prototypes to production of critical parts is hindered by a lack of confidence in the quality of the part. Confidence can be established via a fundamental understanding of the physics of the process. It is generally accepted that this understanding will be increasingly achieved through modeling and simulation. However, there are significant physics, computational, and materials challenges stemming from the broad range of length and time scales and temperature ranges associated with the process. In this study, we review the current state of the art and describe the challenges that need to be met to achieve the desired fundamental understanding of the physics of the process.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Process-based and observation-constrained SOA simulations in China: the role of semivolatile and intermediate-volatility organic compounds and OH levels

Organic aerosol (OA) is a major component of tropospheric submicron aerosol that contributes to air pollution and causes adverse effects on human health. Chemical transport models have difficulties in reproducing the variability in OA concentrations in polluted areas, hindering understanding of the OA budget and sources. Herein, we apply both process-based and observation-constrained schemes to simulate OA in GEOS-Chem. Comprehensive data sets of surface OA, OA components, secondary organic aerosol (SOA) precursors, and oxidants were used for model–observation comparisons. The base models generally underestimate the SOA concentrations in China. In the revised schemes, updates were made on the emissions, volatility distributions, and SOA yields of semivolatile and intermediate-volatility organic compounds (SVOCs and IVOCs) and additional nitrous acid sources. With all the model improvements, both the process-based and observation-constrained SOA schemes can reproduce the observed mass concentrations of SOA and show spatial and seasonal consistency with each other. Our best model simulations suggest that anthropogenic SVOCs and IVOCs are the dominant source of SOA, with a contribution of over 50% in most of China, which should be considered for pollution mitigation in the future. The residential sector may be the predominant source of SVOCs and IVOCs in winter, despite large uncertainty remaining in the emissions of IVOCs from the residential sector in northern China. The industry sector is also an important source of IVOCs, especially in summer. More SVOC and IVOC measurements are needed to constrain their emissions. Besides, the results highlight the sensitivity of SOA to hydroxyl radical (OH) levels in winter in polluted environments. The addition of nitrous acid sources can lead to over 30% greater SOA mass concentrations in winter in northern China. It is important to have good OH simulations in air quality models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

ARM data-oriented metrics and diagnostics package for climate model evaluation (ARM-DIAGS-V3) version 3

A Python-based metrics and diagnostics package is currently being developed by the ARM Infrastructure Team at Lawrence Livermore National Laboratory to facilitate the use of long-term high frequency measurements from the ARM program in evaluating the regional climate simulation of clouds, radiation, precipitation, and aerosols. This metrics and diagnostics package computes climatological means of targeted climate model simulation and generates tables and plots for comparing the model simulation with ARM observational data. The CMIP model data sets are also included in the package to enable model inter-comparison as demonstrated in Zhang et al. (2018) and Zhang et al. (2020). The mean of the CMIP model can be served as a reference for individual models. Basic performance metrics are computed to measure the accuracy of mean state and variability of climate models. The evaluated physical quantities include cloud fraction, temperature, relative humidity, cloud liquid water path, total column water vapor, precipitation, sensible and latent heat fluxes, aerosol optical depth, and radiative fluxes, with plan to extend to more fields, such as the evaluation of model simulated aerosol physicochemical properties and cloud microphysics properties. Process-oriented diagnostics focusing on aerosol, cloud, and precipitation-related phenomena are also being developed for the evaluation and development of specific model physical parameterizations. In addition to the Southern Great Plains (SGP), North Slope of Alaska (NSA) and Tropical Western Pacific (TWP) atmospheric observatories in the ARMDIAGS version 2.0, the version 3.0 package have extended to the data collected at the ARM Eastern North Atlantic (ENA) atmospheric observatory and the Observation and Modeling of the Green Ocean Amazon (GOAMAZON) field campaign. The metrics and diagnostics package are currently built upon standard Python libraries and additional Python packages developed by DOE (CDAT). The ARM metrics and diagnostic package is available publicly with the hope that it can serve as an easy entry point for climate modelers to compare their models with ARM data. In this report, we first provide an overview of major metrics in section 2. The input data, which constitutes the core content of the metrics and diagnostics package, is summarized in section 3. A user's guide documenting the workflow/structure of the version 3.0 codes and including step-by-step instruction for running the package is described in section 4.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Mass measurement of 27 P to constrain type-I x-ray burst models and validate the isobaric multiplet mass equation for the $A = 27, T = \frac{3}{2}$ isospin quartet

Background: Light curves are the primary observable of type-I x-ray bursts. Computational x-ray burst models must match simulations to observed light curves. Most of the error in simulated curves comes from uncertainties in rp process reaction rates, which can be reduced via precision mass measurements of neutron-deficient isotopes in the rp process path. Purpose: Perform a precise atomic mass measurement of 27 P. Use this new measurement to calculate rp process reaction rates and input these rates into an x-ray burst model to reduce simulated light curve uncertainty. Use the mass measurement of 27 P to validate the isobaric multiplet mass equation (IMME) for the A = 27 T = 3/2 isospin quartet which 27 P belongs to. Method: High-precision Penning trap mass spectrometry utilizing the time-of-flight ion cyclotron resonance technique was used to determine the atomic mass of 27 P. The MESA code (Modules for Experiments in Stellar Astrophysics) was then used to simulate x-ray bursts using a one-dimensional multizone model to produce updated light curves. Results: The mass excess of 27 P was measured to be –670.7(6) keV, a 14-fold precision increase over the mass reported in the 2020 Atomic Mass Evaluation (AME2020). The 26 Si(p, $γ$) 27 P– 27 P($γ$, p) 26 Si rate equilibrium has been determined to a higher precision based on the precision mass measurement of 27 P. x-ray burst light curves were produced with the MESA code using the new reaction rates. Changes in the mass of 27 P seem to have minimal effect on light curves, even in burster systems tailored to maximize impact. Conclusion: The mass of 27 P does not play a significant role in x-ray burst light curves. It is important to understand that more advanced models do not just provide more precise results, but often qualitatively different ones. This result brings us a step closer to being able to extract stellar parameters from individual x-ray burst observations. In addition, the IMME has been validated for the A = 27, T = 3/2 quartet. The normal quadratic form of the IMME using the latest data yields a reduced $χ$ 2 of 2.9. Finally, the cubic term required to generate an exact fit to the latest data matches theoretical attempts to predict this term.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Comprehensive Analysis of Coal and Biomass Conversion to Jet Fuel: Oxygen Blown, Transport Reactor Integrated Gasifier (TRIG) and Fischer-Tropsch (F-T) Catalyst Configurations Modeled and Validated Scenarios

This study evaluates the technological/process, life cycle environmental, and economic perspective of 20 discreet F-T jet fuel production scenarios. The technological/process model provides a process level evaluation of the 10 alternate CBTL facility scenarios considered in this study. Aspen Plus simulation models for the CBTL facility scenarios were developed to determine the composition and flows of all of the major streams in the plants. These were used to develop conceptual level cost estimates for capital and operating costs for the major process units. NETL completed this study for the Connecticut Center for Advanced Technology (CCAT) to provide techno-economic and life cycle analysis modeling support for CBTL alternative jet fuel production, which forms key references to their report to the Defense Logistics Agency (their project sponsor/funder).

01 COAL, LIGNITE, AND PEAT↗