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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 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Strangeness-neutral equation of state for QCD with a critical point

We present a strangeness-neutral equation of state for QCD that exhibits critical behavior and matches lattice QCD results for the Taylor-expanded thermodynamic variables up to fourth-order in µ B /T. It is compatible with the SMASH hadronic transport approach and has a range of temperatures and baryonic chemical potentials relevant for phase II of the Beam Energy Scan at RHIC. We provide an updated version of the software BES-EoS, which produces an equation of state for QCD that includes a critical point in the 3D Ising model universality class. This new version also includes isentropic trejectories and the critical contribution to the correlation length. Since heavy-ion collisions have zero global net-strangeness density and a fixed ratio of electric charge to baryon number, the BES-EoS is more suitable to describe this system. Comparison with the previous version of the EoS is thoroughly discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Ab initio generation of thermal neutron scattering law for uranium dioxide

Neutronic analysis of moderated nuclear fission systems, e.g. nuclear reactors, relies upon an accurate prediction of the thermal neutron spectrum. Thermal neutrons have wavelengths on the order of the interatomic spacing between atoms in matter. Consequently, the scattering cross-sections of these neutrons are affected by the scattering law of the material (i.e. S(α,β), where α and β are dimensionless momentum and energy transfer variables), which describes the atomic structure and thermodynamic motion of the atomic nuclei. Uranium-dioxide (UO{sub 2}) is the primary fuel source for nuclear power reactors moderated by light water. In such systems (e.g. nuclear power reactors, spent fuel pools, etc.) the nuclear fuel comprises a large fraction of the system volume, approximately 1/3 in light-water reactors. Therefore, the scattering law of the fuel material may impact the thermal neutron spectrum and criticality of these systems. In this work previously established ab initio lattice dynamics (AILD) methods were utilized to calculate the phonon density of states (DOS), which acts as a fundamental input to the scattering law. Subsequently, the S(α,β) of UO{sub 2} was generated for publication as an ENDF thermal scattering library (TSL), which will be available for use in standard neutronics computer applications. (authors)

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2018

Sensible-Enthalpy-Based Conditional Moment Closure Model for Homogeneous Charge Compression Ignition with Temperature Inhomogeneity

Abstract This paper presents a sensible-enthalpy-based conditional moment closure (CMC) model for homogeneous charge compression ignition (HCCI) with temperature inhomogeneity. The focus of study is placed on the effects of a conditioning variable on the prediction of heat release rates and developing the mixing models for sensible enthalpy, a reacting scalar. The sensible-enthalpy-based CMC model is validated a priori with 2-D direct numerical simulation (DNS) data for HCCI, and compared with the total-enthalpy-based formulation. Sensible enthalpy is shown to be strongly correlated with temperature, which makes sensible enthalpy well suited for a conditioning variable in CMC for HCCI. Results show that sensible-enthalpy-based CMC performs well for the prediction of heat release rates for all temperature stratification levels investigated in this study, while total-enthalpy-based CMC leads to the overprediction of heat release rates when the temperature stratification level is high. While conditional fluctuations of species mass fractions are substantial, sensible-enthalpy-based CMC is found to accurately estimate heat release rates during ignition, as well as reaction rates of key species, due to substantially suppressed conditional temperature fluctuations. The mapping closure models for the probability density function (PDF) and conditional dissipation rates of sensible enthalpy are proposed. The proposed models are found to capture the characteristics of reactive scalar mixing.

42 ENGINEERING↗
DOE OSTI2024

Plasma-based particle sources

High-brightness particle beams generated by advanced accelerator concepts have the potential to become an essential part of future accelerator technology. In particular, high-gradient accelerators can generate and rapidly accelerate particle beams to relativistic energies. The rapid acceleration and strong confining fields can minimize irreversible detrimental effects to the beam brightness that occur at low beam energies, such as emittance growth or pulse elongation caused by space charge forces. Due to the high accelerating gradients, these novel accelerators are also significantly more compact than conventional technology. Advanced accelerators can be extremely variable and are capable of generating particle beams with vastly different properties using the same driver and setup with only modest changes to the interaction parameters. So far, efforts have mainly been focused on the generation of electron beams, but there are concepts to extend the sources to generate spin-polarized electron beams or positron beams. The beam parameters of these particle sources are largely determined by the injection and subsequent acceleration processes. Although, over the last decade there has been significant progress, the sources are still lacking a sufficiently high 6-dimensional (D) phase-space density that includes small transverse emittance, small energy spread and high charge, and operation at high repetition rate. This is required for future particle colliders with a sufficiently high luminosity or for more near-term applications, such as enabling the operation of free-electron lasers (FELs) in the X-ray regime. Major research and development efforts are required to address these limitations in order to realize these approaches for a front-end injector for a future collider or next-generation light sources. In particular, this includes methods to control and manipulate the phase-space and spin degrees-of-freedom of ultrashort plasma-based electron bunches with high accuracy, and methods that increase efficiency and repetition rate. These efforts also include the development of high-resolution diagnostics, such as full 6D phase-space measurements, beam polarimetry and high-fidelity simulation tools. A further increase in beam luminosity can be achieve through emittance damping. Emittance cooling via the emission of synchrotron radiation using current technology requires kilometer-scale damping rings. For future colliders, the damping rings might be replaced by a substantially more compact plasma-based approach. Here, plasma wigglers with significantly stronger magnetic fields are used instead of permanent-magnet based wigglers to achieve similar damping performance but over a two orders of magnitude reduced length.

43 PARTICLE ACCELERATORS↗
DOE OSTI2020

Variable optical properties of light-harvesting complex II revisited

Understanding photosynthetic light harvesting requires knowledge of the molecular mechanisms that dissipate excess energy in thylakoids. However, it remains unclear how the physical environment of light-harvesting complex II (LHCII) influences the process of chlorophyll de-excitation. Here, we demonstrate that protein-protein interactions between LHCIIs affect the optical properties of LHCII and thus influence the total energy budget. Aggregation of LHCII in the dark altered its absorption properties, independent of the amount of prior light exposure. We also revisited the triplet excited state involved in light-induced fluorescence quenching and found another relaxation pathway involving emission in the green region, which might be related to triplet excited energy transfer to neighboring carotenoids and annihilation processes that result in photoluminescence. LHCII- containing liposomes with different protein densities exhibited altered fluorescence and scattering properties. Our results suggest that macromolecular reorganization affects overall optical properties, which need to be addressed to compare the level of energy dissipation.

Iwai, Masakazu↗
DOE OSTI2019

Plant roots stimulate the decomposition of complex, but not simple, soil carbon

Roots release carbon into soil and can alleviate energy limitation of microbial organic matter decomposition. We know little about the effects of roots on microbial decomposition of different organic matter substrates, despite the importance for soil carbon stocks and turnover. Through implementing root-microbe interactions, the Carbon, Organisms, Rhizosphere, and Protection in the Soil Environment (CORPSE) model was previously shown to represent dynamics of total soil carbon in temperate forest field experiments. However, the model permits alternative hypotheses concerning microbial-substrate affinity. We investigated how root inputs affect decomposition of soil organic carbon (SOC) with variable decomposability. We simulated SOC stocks in CORPSE and compared microbial degradation of two substrates types with varying root-microbe interactions under two alternative hypotheses that varied in microbial-substrate affinity. We compared our modeled hypotheses to a forest field experiment where we quantified decomposition of isotopically-labeled starch and leaf tissues in soils with manipulated root access to microbes. Here, we tested the hypothesis that decomposition of leaves would be more sensitive to root inputs than decomposition of starch, corresponding to the alternative model hypothesis. In the field study, leaf decomposition increased with root density while starch decomposition was unchanged by root density. Microbial biomass and enzyme activity consistently increased with root inputs in CORPSE and the field study. Our field experiment supported the CORPSE simulations with high microbial-substrate affinity. Roots stimulated microbial growth and enzyme production, which increased degradation of more complex substrates such as leaf tissues. Substrates that were easily decomposed, such as starch, may already be degrading at a maximum rate in the absence of rhizosphere influence because their decomposition rate was unchanged by root inputs. We found that the degree to which roots stimulate microbial decomposition depends on the substrate being decomposed, and that root-microbe interactions influenced SOC stocks in both our model and field experiment. Environmental changes that alter root-microbe interactions could, therefore, alter soil C stocks and biogeochemical cycling, and models of these interactions should incorporate differential influence of rhizosphere inputs on different substrates.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Practical considerations in using a binary pseudorandom array for instrument transfer function calibration

Binary pseudo-random array (BPRA) artifacts are useful devices for calibrating the instrument transfer function (ITF) of interferometric microscopes and other optical and non-optical surface and wavefront measurement instruments. The intrinsic white noise character of the power spectral density function of the artifact simplifies the deconvolution of the ITF from the measured power spectral density (PSD). However, resampling of the BPRA intrinsic artifact features with the measurement tool's specific sampling pattern modifies the white noise character of the intrinsic spectrum and needs to be accounted for in the ITF-based data deconvolution process. We have developed an analytic solution to the spectrum of a resampled one- and two- dimensional BPRA. The resultant nominal PSD function is a simple twoparameter cosine function with a period equal to the resampled pixel width. A transfer function model for interferometric microscopes that incorporates this function, along with an ITF that includes aliasing effects and variable numerical aperture (NA), wavelength, and obscuration factor, is used to fit to the BPRA PSDs measured by an interference microscope for a range of objective and zoom lens magnification combinations.

Takacs, PZ↗
DOE OSTI2023

How Accurate Can Crystal Structure Predictions Be for High-Energy Molecular Crystals?

Molecular crystals have shallow potential energy landscapes, with multiple local minima separated by very small differences in total energy. Predicting molecular packing and molecular conformation in the crystal generally requires ab initio methods of high accuracy, especially when polymorphs are involved. We used dispersion-corrected density functional theory (DFT-D) to assess the capabilities of an evolutionary algorithm (EA) for the crystal structure prediction (CSP) of well-known but challenging high-energy molecular crystals (HMX, RDX, CL-20, and FOX-7). While providing the EA with the experimental conformation of the molecule quickly re-discovers the experimental packing, it is more realistic to start instead from a naïve, flat, or neutral initial conformation, which reflects the limited experimental knowledge we generally have in the computational design of molecular crystals. By doing so, and using fully flexible molecules in fully variable unit cells, we show that the experimental structures can be predicted in fewer than 20 generations. Nonetheless, one must be aware that some molecular crystals have naturally hindered evolutions, requiring as many attempts as there are space groups of interest to predict their structures, and some may require the accuracy of all-electron calculations to discriminate between closely ranked structures. To save resources in this computationally demanding process, we showed that a hybrid xTB/DFT-D approach could be considered in a subsequent study to push the limits of CSP beyond 200+ atoms and for cocrystals.

42 ENGINEERING↗
DOE OSTI2022

Oxidation Behavior and Property Degradation of Nuclear Graphites

During its multidecade operation in the core of nuclear reactors, graphite components are subjected to aggressive and continuous exposure to a high field of ionizing and neutron irradiation, high temperature, and various types of present and postulated chemical attacks. High density, high crystallinity polygranular synthetic graphite is unique among other materials for its extraordinary capacity of resisting and adapting to the aggression inflicted by high temperature, high energy neutron bombardment and ionizing gamma radiation. But, as a carbonaceous material, even though of very high purity, graphite is reactive towards common oxidizing agents: oxygen, carbon dioxide, water. Safe operation of HTGRs relies, among other aspects, on engineered safeguard systems for efficient and continuous protection of graphite components against oxidation. Graphite oxidation behavior was, and continues to be, an important direction of theoretical and experimental research, engineering analyses, models and simulations, and design and safety regulations. The avalanche of publications, reports, experimental data, computer codes, and regulatory documents related to oxidation behavior of nuclear graphite is now accelerating to new levels, prompted by the increased interest for nuclear energy as a clean, carbon-free energy source. Even though public’s perception of nuclear energy advantages may still be influenced by the memories of past accidents of nuclear reactors from generations II and III, the community of informed scientists and engineers, regulators and statemen knows that generation IV of nuclear reactors is designed at very high safety standards, doubled by great advances of scientific knowledge and technological progress. One of routes of these recent advances is directed at better understanding of graphite oxidation behavior, its relationship with graphite manufacturing and microstructural properties, along with the effects of various environmental factors and process variables. Together, the recent progress in manufacturing, properties characterization, and modeling of intricated physical and chemical processes that concur to the oxidation behavior led to development of powerful simulation codes able to analyze various scenarios of normal operation and hypothetical off-normal events, and thus to clearly specify the allowable parameters envelopes for the designers, constructors, and operators of current and future modular HTGRs. This review begins with an introduction on manufacturing methods, structure, and properties of nuclear graphite, including basic requirements that this specialty graphite type must satisfy for nuclear use. It continues with a chapter on environmental effects on nuclear graphite, where emphasis is placed less on irradiation and much more on oxidation phenomena, their safety implications, and the basic traits of chronic and acute oxidation by air (oxygen) and water (humidity, steam). Particular attention is placed on the three graphite grades of interest for this document (IG-110, NBG-18, PCEA). A chapter on properties degradation induced by oxidation follows, with focus on density, dimensional, and mechanical properties changes. The next chapter is intended as a brief review of various approaches used for modeling of graphite oxidation behavior. It summarizes the progress of oxidation models, from the early attempts to complex computational approaches interfaced with specialized computer codes designed for nuclear reactor simulations. Last, a list is presented of knowledge gaps where more research is needed. A short summary concludes the review.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Collective motion in prolate γ-rigid nuclei within minimal length concept via a quantum perturbation method

Based on the minimal length concept, inspired by Heisenberg algebra, a closed analytical formula is derived for the energy spectrum of the prolate γ-rigid Bohr–Mottelson Hamiltonian of nuclei, within a quantum perturbation method (QPM), by considering a scaled Davidson potential in β shape variable. In the resulting solution, called X(3)-D-ML, the ground state and the first β-band are all studied as a function of the free parameters. The fact of introducing the minimal length concept with a QPM makes the model very flexible and a powerful approach to describe nuclear collective excitations of a variety of vibrational-like nuclei. The introduction of scaling parameters in the Davidson potential enables us to get a physical minimum of this latter in comparison with previous works. The analysis of the corrected wave function, as well as the probability density distribution, shows that the minimal length parameter has a physical upper bound limit.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Analytic model of the γ -surface deviation and influence on the stacking fault width between partial dislocations

The stacking fault width (R$_{eq}$) between partial dislocations within an FCC crystalline lattice characterizes the onset of numerous plastic flow mechanisms, as well as the relationship between material strength and grain size. Continuum models traditionally consider a complete unit of dislocation slip ( b ) along the $\langle{110}$$\rangle$ direction distributed between two discrete partial dislocations, each with a fixed partial Burgers vector ( b p ), which bound a stacking fault. Across the stacking fault, the vectorial slip is assumed to be constant, yielding a constant intrinsic stacking fault energy density, $\gamma$$_{isf}$ Here, we demonstrate that the vectorial displacement path taken in accomplishing a complete unit of slip (b) deviates from the expected displacement path containing the local minima, $\gamma$$_{isf}$ leading to a correction in the nominally derived stacking fault width. The magnitude of the correction depends on both the net orientation of the dislocation within the lattice, and also the degree of relaxation of each partial Burgers vector along the $\langle{\bar{1}12}$$\rangle$ direction. We derive a simple analytic model for the corrected stacking fault width, explicitly accounting for the deviation, by introducing a variable ξ (0 < ξ < 1), which governs the magnitude of each partial dislocation component along the $\langle{\bar{1}12}$$\rangle$ direction. Significantly, our model predicts a correction to R$_{eq}$ of ~$\mathscr{O}$ (|b|) for the nominally screw dislocation, and has no noticeable influence on nominally edge dislocations. We apply our model towards computing the stacking fault width of several FCC metals, and demonstrate excellent agreement both with our own numerical data as well as that obtained from ab initio and Molecular Statics (MS) methods within the literature. Lastly, the results from this study demonstrate that, upon judicious application, discrete linear elastic models are successful in reproducing elastic interactions as computed from higher fidelity models on the spatial scale of metallic dislocation cores.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Design of a Continuous Pellet Fueling System for Wendelstein 7-X

A continuous pellet fueling system (CPFS) is currently being designed at the Oak Ridge National Laboratory (ORNL) for the long pulse operation of the Wendelstein 7-X (W7-X) stellarator. The purpose of the CPFS is to provide deep continuous fueling for feedback-controlled high-density operation and mitigation of predicted hollow density profiles. As described here, the system will provide the capability to inject cylindrical pellets of solid hydrogen or deuterium into the plasma core, with flexibility to vary the pellet size, velocity, and injection frequency. Pellets are nominally of 3 mm in diameter and have a length between 1 and 4 mm. The heart of the CPFS is a vertically oriented, twin-screw extruder, cooled by three Gifford-McMahon cryocoolers in parallel, designed to form a continuous filament of hydrogen or deuterium. The filament width, which determines the pellet length, can be adjusted by means of a variable nozzle driven by a linear actuator at the base of the extruder. Coupled to the nozzle is a solenoid-operated gas gun and cutter assembly. A pneumatic propellant valve pulses a burst of ~60 bar helium to accelerate the cut pellet into W7-X. Three gaps in the guide tubes provide pumping locations to remove the helium propellant before it reaches the plasma. The maximum velocity of the pellet is limited by its ability to survive navigating the guide tube trajectory intact. A microwave cavity located within the guide tube provides the capability to measure the pellet size and velocity. The mechanical and thermal designs of the W7-X extruder, adjustable nozzle, and gun and cutter assembly design are described. A guide tube design and experimental pellet survivability test results are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

A flexible importance sampling method for integrating subgrid processes

Numerical models of weather and climate need to compute grid-box-averaged rates of physical processes such as microphysics. These averages are computed by integrating subgrid variability over a grid box. For this reason, an important aspect of atmospheric modeling is spatial integration over subgrid scales. The needed integrals can be estimated by Monte Carlo integration. Monte Carlo integration is simple and general but requires many evaluations of the physical process rate. To reduce the number of function evaluations, this paper describes a new, flexible method of importance sampling. It divides the domain of integration into eight categories, such as the portion that contains both precipitation and cloud, or the portion that contains precipitation but no cloud. It then allows the modeler to prescribe the density of sample points within each of the eight categories. The new method is incorporated into the Subgrid Importance Latin Hypercube Sampler (SILHS). The resulting method is tested on drizzling cumulus and stratocumulus cases. In the cumulus case, the sampling error can be considerably reduced by drawing more sample points from the region of rain evaporation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Agile Allocation in the Tundra: A Single Growing Season of Warming Increases Nutrient Availability While Decreasing Fine-Root Length

The majority of plant biomass is located belowground in Arctic ecosystems and plant roots are responsible for the uptake of the nutrients that constrain plant growth in these infertile ecosystems. Despite performing a crucial role connecting primary producers to the soil, roots are relatively understudied in the Arctic and their functional response to a rapidly warming and increasingly variable climate is unknown. Here, we assessed whether one growing season with elevated temperatures would have an impact on nutrient uptake and allocation by applying a warming technique that increased daily air temperatures by 3.2 °C. Destructive sampling was performed at the peak of the growing season to quantify biomass pools of carbon (C) and nitrogen (N), root traits, and uptake of a 15 N tracer ( 15 NH 4 + ) for the dominant plant species, Arctagrostis latifolia. We found that soil nutrient availability increased with short-term warming, but A. latifolia NH 4 + uptake remained unchanged. Fine-root length density and root biomass within the soil profile, however, were both reduced by warming. N allocation patterns across plant tissues were also altered by warming. NH 4 + uptake was best fit with a logistic model that captured the spatial relationship between roots and soil (NH 4 + uptake expressed per length fine root and NH 4 + availability expressed per unit soil volume) rather than a traditional Michaelis–Menten model. Our results indicate that short-term experimental warming can shift plant–soil interactions, suggesting that the tundra’s belowground response to elevated temperatures may be more dynamic than previously recognized.

15N tracer↗
DOE OSTI2020

Data-driven predictive probability density function control of fiber length stochastic distribution shaping in refining process

Pulp is the most important raw material in paper in paper industries, whose Fiber Length Stochastic Distribution (FLSD) shaping directly determines the energy consumption and paper quality of the subsequent papermaking processes. However, the mean and variance are insufficient to describe the output FLSD shaping, which display non-Gaussian distribution properties. Therefore, the traditional control, method based on the mean and variance of fiber length is difficult to control the FLSD shaping effectively. In this paper, a novel data-driven predictive probability density function (PDF) control method is proposed for output FLSD shaping in refining process. Primarily, in order to improve the approximation accuracy of the PDF employing RBF neural network, the parameters (center value and width) of each RBF basis functions are tuned via utilizing iterative learning control (ILC) law, and the corresponding estimations of weights law can be obtained. Secondly, considering that the conventional linear model of weights vector has drawbacks of low accuracy and weak generalization ability, random vector functional link networks (RVFLNs) based data driven nonlinear modelling method is employed to characterize the prediction model between the input variables and weights vector. Finally, in order to reduce the randomness of the output FLSD, a minimum entropy control method under mean constraint is employed to design the predictive PDF controller for the output FLSD shaping with the help of the established nonlinear stochastic distribution model. Both simulations and experiments are given to illustrate the effectiveness and practicability of the proposed method.

Probability debsity function, Fiber length distrib↗
DOE OSTI2020

Comparison of Modeled to Measured Spectra using MCNP and GADRAS to Benchmark and Contrast Modeling Limitations

The desire to improve nuclear material detection through portal monitors and other low resolution detectors has led to interest in benchmarking the performance of radiation transport codes. These codes can be used to generate a variety and quantity of spectra that may be cost prohibitive to measure directly. Particular characteristics of typical detection scenarios were isolated to compare the performance of radiation transport codes to laboratory experiments. These benchmark experiments were performed to validate simulations in a number of key areas. These experiments included high areal density configurations in both one- and three-dimensional configurations. In addition, off-angle measurements were conducted to investigate the impact of detector response assumptions on complex geometries, for example where an unknown source is not physically collocated with an apparent hot spot. Furthermore, by examining both simple shielding and backscatter configurations, isolation of the scatter emanating from the object and environmental background scatter contributions to the spectra could be elucidated. A series of experiments were performed in which the order of shielding layers and the thickness were evaluated to examine the ability of the simulations to address these variables. Experiments with increasing thickness of polyethylene around a neutron source also allows for examinations of the ability of the transport simulations to properly model n,γ reactions. Finally, depleted uranium (DU) measurements have more complicated spectra than the cobalt-60 and consequently allow for investigations into the ability of transport simulations to model self-shielding. In each case, the results of the experiments were compared to MCNP simulations to judge the performance of the code, as was done previously with GADRAS 18.7.9 simulations [7]. All of the benchmark measurements were taken with a liquid nitrogen cooled 140% high purity germanium (HPGe) detector with a bismuth collimator that had the front tin filter removed. The measurement location and detector configuration were subsequently used for all experimental configurations. The remainder of this report details the experimental measurements, Section 2 and the MCNP model, Section 3. Comparisons between the experimental results and MCNP-generated spectra are performed, Section 4. Section 5 compares the results obtained with MCNP with the previously reported results obtained with GADRAS [2]. Finally, Section 6 presents the conclusions.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2020

Parametric study of operating conditions of an SO 2 -depolarized electrolyzer

Large-scale hydrogen generation is needed to satisfy both existing commercial demands and the realization of a hydrogen economy. The hybrid sulfur cycle has the potential to meet this goal without the use of fossil fuels. The ability to model and predict how the electrolyzer step of the cycle is affected by independent and interdependent variables is vital to maximizing the efficiency of the overall cycle. Herein, we report that our parametric study of the SO 2 -depolarized electrolyzer, representing one half of the overall reaction cycle, has identified desirable conditions and will help guide further development for operation that will achieve the benchmarks for economic feasibility. We discuss the interactions among the inlet flow rates, applied current, and cell temperature and pressure, on the resulting cell voltage and acid concentration in the liquid product stream. For example, we find that using a sulfonated polybenzimidazole (s-PBI) membrane and a platinum catalyst, a constant current density of either 0.5 A cm -2 , 0.75 A cm -2 , or 1 A cm -2 with an acid concentration of 65 wt% H 2 SO 4 can be produced at a cell voltage of 0.59 V, 0.63 V, and 0.67 V, respectively, by maintaining a cell temperature of 130 °C, a pressure of 2 bar, and a water-to-SO 2 stoichiometry of 2.77. Finally, we discuss directions for future research based on the findings in this manuscript.

08 HYDROGEN↗
DOE OSTI2019

The Community Land Model Version 5: Description of New Features, Benchmarking, and Impact of Forcing Uncertainty

The Community Land Model (CLM) is the land component of the Community Earth System Model (CESM) and is used in several global and regional modeling systems. In this paper, we introduce model developments included in CLM version 5 (CLM5), which is the default land component for CESM2. We assess an ensemble of simulations, including prescribed and prognostic vegetation state, multiple forcing data sets, and CLM4, CLM4.5, and CLM5, against a range of metrics including from the International Land Model Benchmarking (ILAMBv2) package. CLM5 includes new and updated processes and parameterizations: (1) dynamic land units, (2) updated parameterizations and structure for hydrology and snow (spatially explicit soil depth, dry surface layer, revised groundwater scheme, revised canopy interception and canopy snow processes, updated fresh snow density, simple firn model, and Model for Scale Adaptive River Transport), (3) plant hydraulics and hydraulic redistribution, (4) revised nitrogen cycling (flexible leaf stoichiometry, leaf N optimization for photosynthesis, and carbon costs for plant nitrogen uptake), (5) global crop model with six crop types and time-evolving irrigated areas and fertilization rates, (6) updated urban building energy, (7) carbon isotopes, and (8) updated stomatal physiology. New optional features include demographically structured dynamic vegetation model (Functionally Assembled Terrestrial Ecosystem Simulator), ozone damage to plants, and fire trace gas emissions coupling to the atmosphere. Conclusive establishment of improvement or degradation of individual variables or metrics is challenged by forcing uncertainty, parametric uncertainty, and model structural complexity, but the multivariate metrics presented here suggest a general broad improvement from CLM4 to CLM5.

58 GEOSCIENCES↗