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DOE OSTI2022

Lithium-Ion Battery Design for Grid-Scale Energy Storage App

A software that delivers parameters from energy storage system (ESS) to container, rack, module and single cell design, as well as data analysis on arbitrage energy and frequency regulation of ESS in different regions, has been developed. The Lithium-ion Battery Design for Grid-scale Energy Storage App V1.0 has the capability to output the system, module and cell design with the energy, power, capacity, group method, cost of single cell, and single cell test protocol which break down from input energy storage system data in different regions. The default chemistry of the battery is LiFePO4 and graphite. The energy density of the graphite/LiFePO 4 pouch cell ranges from 100 Wh/kg to 200 Wh/Kg in the software. Graphite/LiFePO 4 pouch cell (up to 1Ah in lab) manufacturing line is also built and can be used to evaluate the test protocol, moreover, for electrolyte evaluation in other ESMI seedling projects. The software enables rapid prototyping to accelerate energy storage research, development, and manufacturing.

Liu, Dianying↗

DOE OSTI2016

Fission Matrix Convergence Diagnostic of the Iterated Fission Probability Method

Monte Carlo methods have been applied to reactor problems in order to solve for adjoint-weighted quantities. The Iterated Fission Probability (IFP) method allows adjoint-weighted tallies to be recorded during a forward Monte-Carlo simulation. A key parameter in the IFP method is the number of generations that must pass before the progeny neutrons of a progenitor neutron are tallied. A convergence diagnostic for the IFP is developed using a deterministic code. In particular, a discrete ordinates code is used as a surrogate to demonstrate the theoretical properties of the proposed Monte Carlo convergence diagnostic. The diagnostic is applied to 1-D slab problems and quantifies the error associated with tallying the neutron progeny before an asymptotic distribution is achieved. The results show that the default value of 10 for the number of generations used in MCNP is acceptable for most classes of problems. (authors)

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2016

Land-total and Ocean-total Precipitation and Evaporation from a Community Atmosphere Model version 5 Perturbed Parameter Ensemble

This document presents the large scale water budget statistics of a perturbed input-parameter ensemble of atmospheric model runs. The model is Version 5.1.02 of the Community Atmosphere Model (CAM). These runs are the “C-Ensemble” described by Qian et al., “Parametric Sensitivity Analysis of Precipitation at Global and Local Scales in the Community Atmosphere Model CAM5” (Journal of Advances in Modeling the Earth System, 2015). As noted by Qian et al., the simulations are “AMIP type” with temperature and sea ice boundary conditions chosen to match surface observations for the five year period 2000-2004. There are 1100 ensemble members in addition to one run with default inputparameter values.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Terra-Populus v0.1: A Python Library for LandScan High-Definition Population Analysis and Modeling

The terra-populus library is designed for use by the LandScan HD technical team, offering a streamlined set of tools for generating and updating LandScan HD datasets from foundational building-level data, referred to as 'molecules,' provided by the building-level attribution team. This document serves as the primary technical documentation for terra-populus. Version 0.1 of the library includes the core modeling components necessary for LandScan HD production. It enables the generation of the LandScan HD Baseline dataset as well as corresponding confidence measures for the occupancy rates used. Parameters have been included for incorporating damaged building indicators and changes in population, to faciliate the creation of rapid updates for LandScan HD. Future iterations of terra-populus will introduce tools for creating a confidence index, and quantifying and propagating uncertainty, facilitating the creation of probabilistic LandScan HD outputs. This report provides an overview of the tools available in the library and the corresponding code implementations. One of the key advancements implemented in terra-populus is a redefinition of the atomic modeling unit for LandScan HD. Traditionally, the LandScan HD vector analytical framework has generated population estimates at the building sub-component (molecule) level. However, terra-populus adopts a building-level modeling approach. This shift is an operational decision aimed at aligning LandScan HD outputs with confidence measures, which are computed and validated at the building level (confidence measures are not included in this version of terra-populus, aside from those associated with the occupancy rates). Additional advancements to the LandScan HD modeling, as implemented by terra-populus, include a minimum population value parameter and an auto assignment of building floor counts. The population minimum value was implemented to prevent buildings and subsequent LandScan HD pixels that contained small values that may not rasterize in production. An 'auto' value has been included as a method for dealing with buildings lacking floor count information, where it is the average floor count of all other buildings with a residential building use type tag. The logic behind this is to remain consistent with the current logic employed for dealing with building use type null instances, where a null use type is defaulted to residential since it is the most common building type. The auto logic is intended to apply the most common building floor count of the most common type of buildings. The tools provided in terra-populus represent a significant step forward in improving the efficiency, reproducibility, and transparency of the LandScan HD modeling process. As the library evolves, it will continue to serve as a foundational resource for high-resolution population modeling.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

NASA NTRS2010

Development of a User Interface for a Regression Analysis Software Tool

An easy-to -use user interface was implemented in a highly automated regression analysis tool. The user interface was developed from the start to run on computers that use the Windows, Macintosh, Linux, or UNIX operating system. Many user interface features were specifically designed such that a novice or inexperienced user can apply the regression analysis tool with confidence. Therefore, the user interface s design minimizes interactive input from the user. In addition, reasonable default combinations are assigned to those analysis settings that influence the outcome of the regression analysis. These default combinations will lead to a successful regression analysis result for most experimental data sets. The user interface comes in two versions. The text user interface version is used for the ongoing development of the regression analysis tool. The official release of the regression analysis tool, on the other hand, has a graphical user interface that is more efficient to use. This graphical user interface displays all input file names, output file names, and analysis settings for a specific software application mode on a single screen which makes it easier to generate reliable analysis results and to perform input parameter studies. An object-oriented approach was used for the development of the graphical user interface. This choice keeps future software maintenance costs to a reasonable limit. Examples of both the text user interface and graphical user interface are discussed in order to illustrate the user interface s overall design approach.

Ulbrich, Norbert Manfred↗

DOE OSTI2015

SU-E-T-321: Dosimetric Evaluation of Non-Coplanar Arcs in VMAT Planning for SBRT Lung Cases: A Planning Study

Purpose: Investigate use of standardized non-coplanar arcs to improve plan quality in lung Stereotactic Body Radiation Therapy(SBRT) VMAT planning. Methods: VMAT planning was performed for 9 patients previously treated with SBRT for peripheral lung tumors (tumor size:12.7cc to 32.5cc). For each patient, 7 VMAT plans (couch rotation values:0,5,10,15,20,25,and 30 deg) were generated; the coplanar plans were pushed to meet the RTOG0915 constraints and each non-coplanar plans utilized the same optimization constraints. The following plan dose metrics were used (taken from RTOG 0915): D-2cm: the maximum dose at 2 cm from the PTV, conformality index (CI), gradient index (GI), lung volume receiving 5 Gy (V5) and lung volume receiving 20 Gy (V20). The couch collision clearance was checked for each plan through a dry run using the couch position from the patient’s treatment. Results: Of the 9 cases, one coplanar plan failed to meet two protocol guidelines (both gradient index and D-2cm parameter), and an additional plan failed the D-2cm parameter. When introducing at least 5 degree couch rotation, all plans met the protocol guidelines. The largest feasible couch angle available was 15 to 20 degrees due to gantry collision issues. Non-coplanar plans resulted in the average (standard deviation) reduction of the following metrics: GI by 7.3% (3.7%); lung V20 by 11.1% (3.2%); D-2cm by 12.7% (3.9%). The CI was unchanged (−0.3%±0.6%), and lung V5 increased (3.8%±8.2%). Conclusion: The use of couch rotations as little as 5 degrees allows for plan quality that will meet RTOG0915 constraints while reducing D-2cm, GI, and lung V20. Using default couch rotations while planning SBRT cases will allow for more efficient planning with the stated goal of meeting RTOG0915 criteria for all clinical cases. Gantry clearance checks in the treatment room may be necessary to ensure safe treatments for larger couch rotation values.

60 APPLIED LIFE SCIENCES↗

NASA NTRS2023

Development of High-Resolution Soil Hydraulic Parameters with Use of Earth Observations for Enhancing Root Zone Soil Moisture Product

Regional quantification of energy and water balance fluxes depends inevitably on the estimation of surface and rootzone soil moisture. The simulation of soil moisture depends on the soil retention characteristics, which are difficult to estimate at a regional scale. Thus, the present study proposes a new method to estimate high-resolution Soil Hydraulic Parameters (SHPs) which in turn help to provide high-resolution (spatial and temporal) rootzone soil moisture (RZSM) products. The study is divided into three phases—(I) involves the estimation of finer surface soil moisture (1 km) from the coarse resolution satellite soil moisture. The algorithm utilizes MODIS 1 km Land Surface Temperature (LST) and 1 km Normalized difference vegetation Index (NDVI) for downscaling 25 km C-band derived soil moisture from AMSR-2 to 1 km surface soil moisture product. At one of the test sites, soil moisture is continuously monitored at 5, 20, and 50 cm depth, while at 44 test sites data were collected randomly for validation. The temporal and spatial correlation for the downscaled product was 70% and 83%, respectively. (II) In the second phase, downscaled soil moisture product is utilized to inversely estimate the SHPs for the van Genuchten model (1980) at 1 km resolution. The numerical experiments were conducted to understand the impact of homogeneous SHPs as compared to the three-layered parameterization of the soil profile. It was seen that the SHPs estimated using the downscaled soil moisture (I-d experiment) performed with similar efficiency as compared to SHPs estimated from the in-situ soil moisture data (I-b experiment) in simulating the soil moisture. The normalized root mean square error (nRMSE) for the two treatments was 0.37 and 0.34, respectively. It was also noted that nRMSE for the treatment with the utilization of default SHPs (I-a) and AMSR-2 soil moisture (I-c) were found to be 0.50 and 0.43, respectively. (III) Finally, the derived SHPs were used to simulate both surface soil moisture and RZSM. The final product, RZSM which is the daily 1 km product also showed a nearly 80% correlation at the test site. The estimated SHPs are seen to improve the mean NSE from 0.10 (I-a experiment) to 0.50 (I-d experiment) for the surface soil moisture simulation. The mean nRMSE for the same was found to improve from 0.50 to 0.31.

soil moisture downscaling↗

DOE OSTI2015

A practical method of modeling a treatment couch using cone-beam computed tomography for intensity-modulated radiation therapy and RapidArc treatment delivery

The effect of a treatment couch on dose perturbation is not always fully considered in intensity-modulated radiation therapy (IMRT) and volumetric modulated arc therapy (VMAT). In the course of inverse planning radiotherapy techniques, beam parameter optimization may change in the absence of the couch, causing errors in the calculated dose distributions. Although modern treatment planning systems (TPS) include data for the treatment couch components, they are not manufactured identically. Thus, variations in their Hounsfield unit (HU) values may exist. Moreover, a radiotherapy facility may wish to have a third-party custom tabletop installed that is not included by the TPS vendor. This study demonstrates a practical and simple method of acquiring reliable computed tomography (CT) data for the treatment couch and shows how the absorbed dose calculated with the modeled treatment couch can differ from that with the default treatment couch found in the TPS. We also experimentally verified that neglecting to incorporate the treatment couch completely in the treatment planning process might result in dose differences of up to 9.5% and 7.3% for 4-MV and 10-MV photon beams, respectively. Furthermore, 20 RapidArc and IMRT cases were used to quantify the change in calculated dose distributions caused by using either the default or modeled couch. From 2-dimensional (2D) ionization chamber array measurements, we observed large dose distribution differences between the measurements and calculations when the couch was omitted that varied according to the planning technique and anatomic site. Thus, incorporating the treatment couch in the dose calculation phase of treatment planning significantly decreases dose calculation errors.

61 RADIATION PROTECTION AND DOSIMETRY↗

NASA NTRS1990

Control of multiple resonant power processors in a multi-source system

Analysis and test results show that phasor-regulated, Mapham-derived resonant inverters can be paralleled to provide standardizing interfaces for multiple sources on a utility-type, aerospace power distribution bus. The basic sources do not require matching in any way, and may have grossly different characteristics. Fully stable system architectures with multiple sources, parallel/redundant distribution buses, and a wide variety of loads can be easily constructed and controlled. The commands and parameters available for system control allow for tight tolerance bus voltage control, and absolute power-sharing control from the various sources over the full range of possible source and load variations. That level of control enables simplified load power processing hardware and the distribution of losses to optimally load the source thermal control system. Positive control of all system performance and allocation of losses are not required by all missions or vehicles, and overall vehicle considerations do not always require the loads on vehicle energy sources and thermal control systems to be balanced. In those cases, power system control can be simplified, and a hierarchical set of defaults can be substituted for computer-generated or supervisory input commands to allow for stable, fully autonomous system operation.

Mildice, James↗

DOE OSTI2018

Axion cosmology with early matter domination

The default assumption of early Universe cosmology is that the postinflationary Universe was radiation dominated until it was about 47,000 years old. Direct evidence for the radiation-dominated epoch extends back until nucleosynthesis, which began during the first second. Yet there are theoretical reasons to prefer a period of earlier matter domination, prior to nucleosynthesis, e.g., due to late decaying massive particles needed to explain baryogenesis. Axion cosmology is quantitatively affected by an early period of matter domination, with a different axion mass range preferred and greater inhomogeneity produced on small scales. In this work we show that such increased inhomogeneity can lead to the formation of axion miniclusters in axion parameter ranges that are different from those usually assumed. If the reheating temperature is below 58 MeV, axion miniclusters can form even if the axion field is present during inflation and has been previously homogenized. The upper bound on the typical initial axion minicluster mass is raised from 10 - 10 M ⊙ to 10 - 7 M ⊙ , where M ⊙ is a solar mass. These findings may have consequences for indirect detection of axion miniclusters, and could conceivably probe the thermal history of the Universe before nucleosynthesis.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

H2OI95: A Stand-Alone Fortran Code for Evaluating the IAPWS-95 Equation-of-State Model for Water (Rev. 1)

H2OI95 is a stand-alone Fortran code for evaluating the IAPWS-95 equation-of-state model for the thermodynamic properties of water. It also evaluates the corresponding thermochemical properties of water consistent with the CODATA recommendations. The IAPWS-95 model is based on a model equation for the dimensionless Helmholtz energy for which the primary variables are the inverse reduced temperature (τ = T cr /T ) and reduced density (δ = ρ/ρ cr ). Here T is the absolute temperature (K), ρ is density (kg/m³), and the subscript “ cr ” refers to the critical point of water (647.096 K and 22.064 MPa pressure in this model, for which ρ cr is 322 kg/m³). The code solves four basic types of problems, distinguished by the specified inputs: 1. Temperature (K) and density (ρ kg/m³) or reduced density (δ) 2. Temperature (K) and pressure (MPa). 3. Temperature (K) on the saturation (liquid-vapor equilibrium) curve 4. Pressure (MPa) on the saturation curve. Each type of problem is run using a corresponding input (text) file. All but the first type of problem require iteration. For example, to solve for desired temperature and pressure, the reduced density must be adjusted to give the desired pressure. Iteration is accomplished using the Newton-Raphson method, though the secant method is also used in solving the fourth type of problem. For the last three types of problems, H2OI95 has been used to conduct numerical studies of convergence and the problem of multiple numerical solutions, some of which are not physically valid. Obtaining valid results depends mainly on appropriate choice of starting values for the density. The default values used in H2OI95 appear to consistently lead to generally desired results. With modification (not addressed here), H2OI95 can be used to support SUPCRT92 and similar codes that compute chemical thermodynamic properties of species and reactions over a wide range of temperature and pressure (273.16-1273K and 0-1000 MPa). Version 1.1 of this software calculates an extended set of water properties, including some derivable solely from IAPWS-95, such as the isobaric thermal expansivity and the isothermal compressibility, and still other properties based on supplementary models sanctioned by IAPWS, including the dynamic viscosity, thermal conductivity, surface tension, and static dielectric constant, and various other properties (notably Debye-Hückel parameters) derivable from the dielectric constant and its partial derivatives with respect to temperature and pressure. A coding error in Version 1.0 was identified while testing the implementation of the viscosity model. This error is described in Appendix C. It mainly affects calculation of “higher order” properties such as compressibility and heat capacity near the critical point.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

The ellipticity parameterization for an NFW profile: An overlooked angular structure in strong lens modeling

Galaxy-scale gravitational lenses are often modeled with two-component mass profiles where one component represents the stellar mass and the second is a Navarro Frenk White (NFW) profile representing the dark matter. Outside of the spherical case, the NFW profile is costly to implement, and so it is approximated via two different methods; ellipticity can be introduced via the lensing potential (NFWp) or via the mass by approximating the NFW profile as a sum of analytical profiles (NFWm). While the NFWp method has been the default for lensing applications, it gives a different prescription of the azimuthal structure, which we show introduces ubiquitous gradients in ellipticity and boxiness in the mass distribution rather than having a constant elliptical shape. Because an unmodeled azimuthal structure has been shown to be able to bias lens model results, we explored the degree to which this azimuthal structure that was introduced can affect the model accuracy. We constructed input profiles using composite models using both the NFWp and NFWm methods and fit these mocks with a power-law elliptical mass distribution (PEMD) model with external shear. As a measure of the accuracy of the recovered lensing potential, we calculated the value of the Hubble parameter H 0 one would determine from the lensing fit. We found that the fits to the NFWp input return H 0 values that are systematically biased by about 3% lower than the NFWm counterparts. We explored whether such an effect is attributable to the mass sheet transformation (MST) by using an MST-independent quantity, ξ 2 . We show that, as expected, the NFWm mocks are degenerate with PEMD through an MST. For the NFWp, an additional bias was found beyond the MST due to the azimuthal structure exterior to the Einstein radius. We recommend modelers use an NFWm prescription in the future, such that the azimuthal structure can be introduced explicitly rather than implicitly.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1994

Technology Benefit Estimator (T/BEST): User's Manual

The Technology Benefit Estimator (T/BEST) system is a formal method to assess advanced technologies and quantify the benefit contributions for prioritization. T/BEST may be used to provide guidelines to identify and prioritize high payoff research areas, help manage research and limited resources, show the link between advanced concepts and the bottom line, i.e., accrued benefit and value, and to communicate credibly the benefits of research. The T/BEST software computer program is specifically designed to estimating benefits, and benefit sensitivities, of introducing new technologies into existing propulsion systems. Key engine cycle, structural, fluid, mission and cost analysis modules are used to provide a framework for interfacing with advanced technologies. An open-ended, modular approach is used to allow for modification and addition of both key and advanced technology modules. T/BEST has a hierarchical framework that yields varying levels of benefit estimation accuracy that are dependent on the degree of input detail available. This hierarchical feature permits rapid estimation of technology benefits even when the technology is at the conceptual stage. As knowledge of the technology details increases the accuracy of the benefit analysis increases. Included in T/BEST's framework are correlations developed from a statistical data base that is relied upon if there is insufficient information given in a particular area, e.g., fuel capacity or aircraft landing weight. Statistical predictions are not required if these data are specified in the mission requirements. The engine cycle, structural fluid, cost, noise, and emissions analyses interact with the default or user material and component libraries to yield estimates of specific global benefits: range, speed, thrust, capacity, component life, noise, emissions, specific fuel consumption, component and engine weights, pre-certification test, mission performance engine cost, direct operating cost, life cycle cost, manufacturing cost, development cost, risk, and development time. Currently, T/BEST operates on stand-alone or networked workstations, and uses a UNIX shell or script to control the operation of interfaced FORTRAN based analyses. T/BEST's interface structure works equally well with non-FORTRAN or mixed software analysis. This interface structure is designed to maintain the integrity of the expert's analyses by interfacing with expert's existing input and output files. Parameter input and output data (e.g., number of blades, hub diameters, etc.) are passed via T/BEST's neutral file, while copious data (e.g., finite element models, profiles, etc.) are passed via file pointers that point to the expert's analyses output files. In order to make the communications between the T/BEST's neutral file and attached analyses codes simple, only two software commands, PUT and GET, are required. This simplicity permits easy access to all input and output variables contained within the neutral file. Both public domain and proprietary analyses codes may be attached with a minimal amount of effort, while maintaining full data and analysis integrity, and security. T/BESt's sotware framework, status, beginner-to-expert operation, interface architecture, analysis module addition, and key analysis modules are discussed. Representative examples of T/BEST benefit analyses are shown.

Generazio, Edward R.↗

DOE OSTI2012

An integrated analytical framework for quantifying the LCOE of waste-to-energy facilities for a range of greenhouse gas emissions policy and technical factors

This study presents a novel integrated method for considering the economics of waste-to-energy (WTE) facilities with priced greenhouse gas (GHG) emissions based upon technical and economic characteristics of the WTE facility, MSW stream, landfill alternative, and GHG emissions policy. The study demonstrates use of the formulation for six different policy scenarios and explores sensitivity of the results to ranges of certain technical parameters as found in existing literature. The study shows that details of the GHG emissions regulations have large impact on the levelized cost of energy (LCOE) of WTE and that GHG regulations can either increase or decrease the LCOE of WTE depending on policy choices regarding biogenic fractions from combusted waste and emissions from landfills. Important policy considerations are the fraction of the carbon emissions that are priced (i.e. all emissions versus only non-biogenic emissions), whether emissions credits are allowed due to reducing fugitive landfill gas emissions, whether biogenic carbon sequestration in landfills is credited against landfill emissions, and the effectiveness of the landfill gas recovery system where waste would otherwise have been buried. The default landfill gas recovery system effectiveness assumed by much of the industry yields GHG offsets that are very close to the direct non-biogenic GHG emissions from a WTE facility, meaning that small changes in the recovery effectiveness cause relatively larger changes in the emissions factor of the WTE facility. Finally, the economics of WTE are dependent on the MSW stream composition, with paper and wood being advantageous, metal and glass being disadvantageous, and plastics, food, and yard waste being either advantageous or disadvantageous depending upon the avoided tipping fee and the GHG emissions price.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Development of a triple-moment ice-phase cloud microphysics scheme and its application to the Single Column Atmosphere Model

Parameterization of cloud microphysics is critical for accurate simulation of weather and climate, in which the characteristics of cloud particle spectrum inevitably further affect climate simulation by changing the cloud evolution and cloud radiation effects. The popular currently used double-moment cloud microphysics schemes in numerical models can predict the intercept (N 0 ) and slope (λ) parameters of cloud particle spectrum but cannot predict the spectral shape parameter (μ), which hinders accurate description of cloud physical processes in climate models. Therefore, in the present study, we built upon the ideas of previously developed triple-moment cloud microphysics scheme, considered radar reflectivity factor as the third predictor in addition to number and mass concentration, and introduced its related prediction equation to the Single Column Atmosphere Model Version 5.3 (SCAM5.3). Moreover, the relevant microphysical process formulas in the model were revised, and a triple-moment ice-cloud microphysics scheme was constructed to predict the μ of ice particle spectrum. Based on this model, a 29-day case of the Atmospheric Radiation Measurement Program in the summer of 1997 (ARM97) was simulated, and the differences in cloud fraction and radiation simulations between the double- and triple-moment schemes were analysed. The μ of ice particle spectrum predicted by the triple-moment scheme mainly ranged from 0 to 4; the peak value was around 2, and at least 85% of the μ values were greater than the default 0. Therefore, the μ=0 setting in the double-moment scheme is unreasonable. Moreover, the developed triple-moment ice-cloud microphysics scheme yielded a narrower ice particle spectrum, which was closer to the observation results of previous studies, than the double-moment cloud microphysics scheme (e.g., height=233 hPa). Furthermore, compared with the double-moment scheme, the triple-moment scheme achieved closer simulations of the cloud fraction observations, particularly for ice clouds in the upper levels. Considering the close association between cloud fraction and radiation, the error with the triple-moment scheme was smaller than that with the double-moment scheme regardless of the shortwave (surface downward shortwave radiation, net downward shortwave radiation at the top of the atmosphere, and net shortwave radiation at the surface) or longwave (surface downward longwave radiation and net longwave radiation at the surface) flux density. Finally, the improvement mechanism of the triple-moment scheme on cloud fraction and radiation simulations was explored. The major reason is that the triple-moment scheme weakens the autoconversion of ice crystal to form snow and enhances the growth process of ice crystal deposition, thereby increasing the mass concentration of ice crystals and ice cloud fraction. Overall, the developed triple-moment ice-cloud microphysics scheme can help improve the simulation ability of models for cloud-climate feedback and other processes.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Sparse non-Markovian Noise Modeling of Transmon-Based Multi-Qubit Operations

The influence of noise on quantum dynamics is one of the main factors preventing current quantum processors from performing accurate quantum computations. Sufficient noise characterization and modeling can provide key insights into the effect of noise on quantum algorithms and inform the design of targeted error protection protocols. However, constructing effective noise models that are sparse in model parameters, yet predictive can be challenging. In this work, we present an approach for effective noise modeling of multi-qubit operations on transmon-based devices. Through a comprehensive characterization of seven devices offered by the IBM Quantum Platform, we show that the model can capture and predict a wide range of single- and two-qubit behaviors, including non-Markovian effects resulting from spatiotemporally correlated noise sources. The model’s predictive power is further highlighted through multi-qubit dynamical decoupling demonstrations and an implementation of the variational quantum eigensolver. As a training proxy for the hardware, we show that the model can predict expectation values within a relative error of 0.5%; this is a sevenfold improvement over default hardware noise models. Through these demonstrations, we highlight key error sources in superconducting qubits and illustrate the utility of reduced noise models for predicting hardware dynamics.

open quantum systems & decoherence↗

DOE OSTI2012

System Evaluations and Life-Cycle Cost Analyses for High-Temperature Electrolysis Hydrogen Production Facilities

This report presents results of system evaluations and lifecycle cost analyses performed for several different commercial-scale high-temperature electrolysis (HTE) hydrogen production concepts. The concepts presented in this report rely on grid electricity and non-nuclear high-temperature process heat sources for the required energy inputs. The HYSYS process analysis software was used to evaluate both central plant designs for large-scale hydrogen production (50,000 kg/day or larger) and forecourt plant designs for distributed production and delivery at about 1,500 kg/day. The HYSYS software inherently ensures mass and energy balances across all components and it includes thermodynamic data for all chemical species. The optimized designs described in this report are based on analyses of process flow diagrams that included realistic representations of fluid conditions and component efficiencies and operating parameters for each of the HTE hydrogen production configurations analyzed. As with previous HTE system analyses performed at the INL, a custom electrolyzer model was incorporated into the overall process flow sheet. This electrolyzer model allows for the determination of the average Nernst potential, cell operating voltage, gas outlet temperatures, and electrolyzer efficiency for any specified inlet steam, hydrogen, and sweep-gas flow rates, current density, cell active area, and external heat loss or gain. The lifecycle cost analyses were performed using the H2A analysis methodology developed by the Department of Energy (DOE) Hydrogen Program. This methodology utilizes spreadsheet analysis tools that require detailed plant performance information (obtained from HYSYS), along with financial and cost information to calculate lifecycle costs. There are standard default sets of assumptions that the methodology uses to ensure consistency when comparing the cost of different production or plant design options. However, these assumptions may also be varied within the spreadsheets when better information is available or to allow the performance of sensitivity studies. The selected reference plant design for this study was a 1500 kg/day forecourt hydrogen production plant operating in the thermal-neutral mode. The plant utilized industrial natural gas-fired heaters to provide process heat, and grid electricity to supply power to the electrolyzer modules and system components. Modifications to the reference design included replacing the gas-fired heaters with electric resistance heaters, changing the operating mode of the electrolyzer (to operate below the thermal-neutral voltage), and considering a larger 50,000 kg/day central hydrogen production plant design. Total H2A-calculated hydrogen production costs for the reference 1,500 kg/day forecourt hydrogen production plant were $\$$3.42/kg. The all-electric plant design using electric resistance heaters for process heat, and the reference design operating below the thermal-neutral voltage had calculated lifecycle hydrogen productions costs of $\$$3.55/kg and $\$$5.29/kg, respectively. Because of its larger size and associated economies of scale, the 50,000 kg/day central hydrogen production plant was able to produce hydrogen at a cost of only $\$$ 2.89/kg.

08 HYDROGEN↗

NASA NTRS2014

The Impacts of Microphysics and Planetary Boundary Layer Physics on Model Simulations of U.S. Deep South Summer Convection

Convection-allowing numerical weather simula- tions have often been shown to produce convective storms that have significant sensitivity to choices of model physical parameterizations. Among the most important of these sensitivities are those related to cloud microphysics, but planetary boundary layer parameterizations also have a significant impact on the evolution of the convection. Aspects of the simulated convection that display sensitivity to these physics schemes include updraft size and intensity, simulated radar reflectivity, timing and placement of storm initi- ation and decay, total storm rainfall, and other storm features derived from storm structure and hydrometeor fields, such as predicted lightning flash rates. In addition to the basic parameters listed above, the simulated storms may also exhibit sensitivity to im- posed initial conditions, such as the fields of soil temper- ature and moisture, vegetation cover and health, and sea and lake water surface temperatures. Some of these sensitivities may rival those of the basic physics sensi- tivities mentioned earlier. These sensitivities have the potential to disrupt the accuracy of short-term forecast simulations of convective storms, and thereby pose sig- nificant difficulties for weather forecasters. To make a systematic study of the quantitative impacts of each of these sensitivities, a matrix of simulations has been performed using all combinations of eight separate microphysics schemes, three boundary layer schemes, and two sets of initial conditions. The first version of initial conditions consists of the default data from large-scale operational model fields, while the second features specialized higher- resolution soil conditions, vegetation conditions and water surface temperatures derived from datasets created at NASA's Short-term Prediction and Operational Research Tran- sition (SPoRT) Center at the National Space Science and Technology Center (NSSTC) in Huntsville, AL. Simulations as outlined above, each 48 in number, were conducted for five midsummer weakly sheared coastal convective events each at two sites, Mobile, AL (MOB) and Houston, TX (HGX). Of special interest to operational forecasters at MOB and HGX were accuracy of timing and placement of convective storm initiation, reflectivity magnitudes and coverage, rainfall and inferred lightning threat.

McCaul, Eugene W., Jr.↗