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DOE OSTI2022

High‐Performance and Stable Semi‐Transparent Perovskite Solar Cells through Composition Engineering

Abstract Semi‐transparent perovskite solar cells (ST‐PeSCs) have tremendous potential as solar windows owing to their higher efficiency and visible transmittance. However, studies toward this application are still nascent, particularly in unraveling the interplay between how the perovskite composition impacts the achievable device performance and stability. Here, the role of A‐ and X‐site modification in APbX 3 perovskites is studied to understand their influence on these factors. Through detailed experimental and simulation work, it is found that a perovskite composition consisting of cesium (Cs) and formamidinium (FA) at the A‐site delivers the best device performance over a range of band gaps, which are tuned by changes to the X‐site anion. Using this optimized perovskite composition, power conversion efficiencies of 15.5% and 4.1% are achieved for ST‐PeSCs with average visible transmittance values between 20.7% and 52.4%, respectively. Furthermore, the CsFA‐based ST‐PeSCs show excellent long‐term stability under continuous illumination and heating. The stability of the precursor solutions across each of the studied compositions has also been considered, showing dramatic differences in the structural properties of the perovskites and their device performance for all mixed A‐site compositions possessing the archetypal methyl ammonium species, while also confirming the superior stability of the CsFA precursor solutions.

14 SOLAR ENERGY↗

DOE OSTI2023

ActiveBAS: A Low-cost, Scalable Control Solution for Grid-Interactive Small and Medium Sized Commercial Buildings

This project aims to develop and enhance a low-cost, highly scalable control solution for Small and Medium-Sized Commercial Buildings (SMCB), assess the business potential at multiple sites, and perform commercialization efforts. The technology can be applied to any buildings served by multiple units, with the benefits being greatest for open-spaced buildings, such as banks, retail stores, restaurants, and factories. This project aims to develop an affordable control solution for: 1) SMCB grid responsiveness, 2) reduction of GHG by changing unit operations, 3) greater reduction in utility costs, and 4) rapid adoption in the marketplace. The proposed technology will be built on a previously developed and demonstrated MPC solution. The minimal sensor requirement and less need of control expertise are the unique feature of the algorithm that leads to low capital and maintenance costs, and short installation and implementation time. These attributes contribute to low capital and maintenance costs, as well as a short installation and implementation time. However, these advantages come with a trade-off: increased difficulties and unreliability when applying traditional modeling and MPC control approaches due to limited information. This final report describes the modeling approaches developed and tested to overcome these challenges. It begins by outlining the modeling challenge posed by minimal sensor requirements, then delves into the proposed modeling approaches, which primarily involve system identification. Finally, preliminary test results for a simulation case study are presented.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

A new database of building-space-specific internal loads and load schedules for performance based code compliance modeling of commercial buildings

Building-level loads and load profiles prescribed by current modeling rules save modelers time and avoid gaming during whole building performance modeling. However, recent studies show that they sometimes insufficiently capture the entire building performance due to the varied loads and load profiles for different space types. As a solution to this issue, this paper develops a database of building-space-specific loads and load profiles used in code compliance modeling. The existing sets of loads and load profiles are reviewed and the challenges behind using them for specific research topics are discussed. Then, the proposed method to develop the building-space-specific loads and load profiles is introduced. After that, the database for these building-space-specific loads and load profiles is presented. In addition, one case is studied to demonstrate the applications of these loads and load profiles. In this case study, three methods are used to develop building energy models: space-specific (using knowledge of the distribution and location of space types and applying the space-specific data in the developed database), building-level (assuming a lack of knowledge of the space types and using the building-level data in the developed database), and calculated-ratio (assuming knowledge of the distribution of space types but not their locations and calculating weighted average values based on the space-specific data in the developed database). Finally, the energy results simulated by using these three methods are compared, which show building-level methods can produce energy results up to 20% different than the space-specific methods. Finally, this paper discusses the application scope and maintenance of this new database.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Demonstration and technoeconomic analysis of dodecanol production from acetate using metabolically engineered Escherichia coli

In a circular bioeconomy, the one-way conversion of petroleum to chemicals and CO 2 is replaced with processes that reduce CO 2 to energy carriers and useful materials that are returned to CO 2 upon combustion. A circular bioeconomy that relies on photosynthesis to generate sugars as the chief energy carrier and precursor to chemical building blocks has yet to overcome many recalcitrant aspects of plant-based photosynthesis, namely, high feedstock costs, arable land scarcity, food competition, and fertilizer overuse. Acetate is a potential sustainable energy carrier because it can be produced from CO 2 either electrocatalytically or by acetogens via the Wood-Ljungdahl pathway. Here, in this work, we conducted a metabolic engineering study of Escherichia coli 's ability to convert acetate into dodecanol as a model oleochemical product. We performed techno-economic and life cycle analyses to determine break-even points with alternative fossil fuel-based strategies and identified critical process performance parameters for supporting an industrial acetate-based bioprocess. These analyses showed that oleochemical yield is the primary driver of minimum oleochemical selling price and carbon intensity. Therefore, to increase yield on acetate, we deleted the aceBAK operon, which facilitates funneling of acetate into biomass instead of product. We performed additional strain engineering to increase flux towards dodecanol and increase acetate uptake. Finally, we demonstrated increased yield in controlled bioreactors, improving from 13% of the maximum theoretical yield to 37%. Rigorous uncertainty analyses assuming a range of market conditions and future technological performances resulted in 88% and 37% of simulated scenarios having lower carbon intensities than fossil fuel-based routes and lower minimum selling prices than the market price.

Acetate↗

DOE OSTI2020

Improvements to the New CTH Code Verification & Validation Test Suite (FY2020)

The CTH multiphysics hydrocode, which is used for a wide range of important calculations, has undertaken in recent years to overhaul its software quality and testing processes. A key part of this effort entailed building a new, robust V&V test suite made up of traditional hydrocode verification problems, such as those listed in the ASC Tri-Lab Test Suite and the Enhanced Tri-Lab Test Suite, as well as validation problems for some of CTHs most frequently used equations of state, materials models, and other key capabilities. Substantial progress towards this goal was made in FY19. In FY20, this test suite has been expanded to include verification and validation tests of the Sesame and JWL equation of state models as well as the Mader verification problem from the Tri-Lab Test Suite and the Blake verification problem - a linear elastic analog to the Hunter problem from the Enhanced Tri-Lab Test Suite. This report documents CTH performance on the new test suite problems. Verification test results are compared to analytic solutions and, for most tests, convergence results are presented. Validation test results are compared to experimental data and mesh refinement studies are included. CTH performs well overall on the new test problems. Convergence rates for the Blake and Mader problems are comparable to those for similar ASC codes. The JWL and Sesame verification tests show good agreement with analytic solutions. Likewise, CTH simulation results show good agreement with experimental validation data for the Sesame and JWL equations of state for the materials tested. Future V&V work will focus on adding tests for other key capabilities like fracture and high explosive models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Demonstration of a modeling toolkit for the design of building electrical distribution systems

The deployment of building equipment (e.g., lighting, security) and miscellaneous electrical loads that fundamentally require DC power for operation is increasing. Powering these DC loads has traditionally required an AC/DC converter, but the installation of photovoltaic (PV) and battery energy storage systems that primarily produce DC power eliminates the need for AC/DC converters at each end-device. However, analyzing system energy efficiency and cost for different electrical distribution architectures can be challenging as software tools that support this are not readily available. This paper presents preliminary results from a laboratory verification of the Building Electrical Efficiency Analysis Model (BEEAM) toolkit that was developed to address this gap. Three different eight-luminaire lighting systems comprised of market-available products were designed and modeled: one that used traditional AC distribution, a second that used a hybrid AC -to- centralized DC electrical distribution architecture, and a third that used a hybrid AC -to- distributed DC architecture. Notably, AC/DC conversions are required in all three systems. BEEAM models for LED drivers as well as Power-over-Ethernet (PoE) switches were created using laboratory characterization data. The lighting systems were simulated in Modelica, and the results were compared with each other and physics-based expectations. Simulation results show that PoE system energy efficiency is highly dependent on both device specification (e.g., LED driver and PoE switch efficiency) and system architecture (e.g., PoE switch loading) choices, as expected. For the products and system architectures selected for this study, the two DC systems were found to be less efficient than the AC system over the course of typical operation. In future work, simulation results will be compared with laboratory measurements to validate the usefulness of this software for design, and lighting systems with integrated PV and battery energy storage will be simulated to quantify the energy performance improvements that result from the elimination of some AC/DC converters.

Waghale, Anay S.↗

DOE OSTI2023

Stabilizing the Grid and Reducing Utility Bills Through Price-Responsive Controls for Heat Pump Water Heaters

The electricity grid is facing increasing challenges in cost-effectively balancing supply and demand. These challenges are exacerbated by increased penetration of photovoltaics, which causes mid-day overproduction, and electrification of gas appliances, which increases peak-period electricity demand. Decarbonization requires shifting building loads from fossil-intensive high-cost times to renewable-intensive low-cost times while maintaining quality of service to occupants. Utilities and ISO’s are investigating new ways of incentivizing this load shifting. One promising method is the use of Highly Dynamic Prices (HDPs). HDPs feature continuously changing prices that reflect real-time grid generation and distribution costs and capacity constraints, and thus incentivize consumers to shift their loads. California’s CPUC CalFUSE proposal and Hawaii’s recent changes demonstrate that electricity tariffs are moving towards this model. For this to work however, loads must have the capability to respond to these prices. Heat pump water heaters (HPWHs) are an ideal device for this purpose because their storage tanks decouple delivery of domestic hot water from electricity consumption. The storage enables control strategies that consume midday solar power to increase the energy stored in the tank, then provide evening peak domestic hot water services using the stored energy. Berkeley Lab's CalFlexHub project is pioneering price-driven load flexibility by developing and deploying cost-minimizing controls for many flexible loads - including HPWHs - in response to HDP. Control development is based on simulations using the Flexible Heat Pump Water Heater Performance Predictor which captures the control decisions of the on-board controller in a residential, integrated HPWH . The price-responsive controls a) shift load in ways that consume additional midday solar power to help stabilize the grid and reduce overall emissions, b) ensure that occupants receive equal or better hot water delivery service, and c) minimize the operating cost for each home in the fleet. On the grid level, the resulting shift will reduce utility operating costs and emissions, and can avoid expensive system capacity expansions. The control approach is customized to each home based on typical hot water consumption patterns. HPWH controllers, whether on the device or remotely, will receive a schedule of CTA-2045-B signals or set temperature adjustments customized to the current HDP price schedule and home. Simulation results for a fleet of 148 HPWHs on a summer day in Berkeley, California show cost savings of 29% and high price electricity consumption reductions of 80%, while maintaining full quality of service.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

Lignin-Derived Methoxyterephthalates for Performance-Advantaged Polymers and Plasticizers

Lignin-derived aromatic carboxylic acids can be produced from oxidative catalytic processes and are promising building blocks for performance-advantaged bioproducts that leverage their inherent heteroatom functionalities. Here, we synthesize 2-methoxyterephthalate and 2,6-dimethoxyterephthalate derivatives by electrochemical carboxylation of guaiacyl- and syringyl-derived lignin monomers obtained from the oxidative deconstruction of lignin. These methoxylated terephthalates are evaluated as comonomers in poly(ethylene terephthalate) (PET) and as plasticizers that could replace petrochemically-derived isophthalate and phthalate, respectively. Specifically, we copolymerize 2-methoxy- and 2,6-dimethoxyterephthalate with dimethyl terephthalate to form several PET copolymers, both of which enable the properties of PET to be tuned, with an incorporation beyond 25% producing amorphous polyesters. At 10 mol % loading in the copolymers, we demonstrate that the bioderived comonomers exhibit comparable behavior to isophthalic acid, a commonly used comonomer in PET, by lowering the crystallinity and melting temperature. Moreover, methoxyterephthalate esters (2-ethylhexyl and butyl) are compared to phthalate and terephthalate ester counterparts used as poly(vinyl chloride) (PVC) plasticizers. The bioderived plasticizers are comparable to the petroleum-derived incumbents in reducing the glass transition temperature and increasing the thermal stability of PVC. Furthermore, the dimethoxyterephthalic esters are expected to have an extended lifetime in the polymer matrix due to their lower volatility and lower diffusion coefficients calculated by molecular dynamic simulations. These results demonstrate that the isophthalate and phthalate components in polyesters and plasticizers, respectively, could be substituted with biobased methoxyterephthalate derivatives.

09 BIOMASS FUELS↗

DOE OSTI2020

Optimizing Cornell’s future geothermal district heating performance through systems engineering and simulation

Cornell University’s intention to lower its carbon footprint has motivated this engineering evaluation of using low-temperature geothermal energy to supply heat to the campus district energy system. Optimal selection and operation of heat pumps can significantly improve system performance. To support this analysis, we model the quantitative relationships between heat pump configurations and source flow, supply and distribution temperatures, facility heating design options, output heat generation, and carbon abatement outcomes. A systems approach is used for analysis, troubleshooting, and improvement of the model. The result of this effort is a dynamic tool that appropriately responds to hourly thermal demand and communicates energy response for techno-economic analysis. Simulations indicate that a single well-pair in the local Basement Contact Zone reservoir can satisfy almost 68% of annual thermal demand at nearly 20 MWth average capacity while remaining financially competitive compared to conventional heating with levelized cost of heating (LCOH) as low as $4.55/MMBTU ($15.53/MWh th ). A direct-use scheme with heat pump augmentation provided more carbon abatement and 50 to 150% more annual heat supply than one without augmentation. Exploration of three and four well-pair scenarios prove the capability to achieve 50 MW th baseload heating capacity with competitive LCOH and significant carbon reductions.

15 GEOTHERMAL ENERGY↗

DOE OSTI2021

A coupled fluid-mechanical workflow to simulate the directed energy deposition additive manufacturing process

Simulation of additive manufacturing processes can provide essential insight into material behavior, residual stress, and ultimately, the performance of additively manufactured parts. In this work, we describe a new simulation based workflow utilizing both solid mechanics and fluid mechanics based formulations within the finite element software package SIERRA (Sierra Solid Mechanics Team in Sierra/Solid Mechanics 4.52 User’s Guide SAND2019-2715. Technical report, Sandia National Laboratories, 2011) to enable integrated simulations of directed energy deposition (DED) additive manufacturing processes. In this methodology, a high-fidelity fluid mechanics based model of additive manufacturing is employed as the first step in a simulation workflow. This fluid model uses a level set field to track the location of the boundary between the solid material and background gas and precisely predicts temperatures and material deposition shapes from additive manufacturing process parameters. Next, the resulting deposition shape and temperature field from the fluid model are then mapped into a solid mechanics formulation to provide a more accurate surface topology for radiation and convection boundary conditions and a prescribed temperature field. Solid mechanics simulations are then conducted to predict the evolution of material stresses and microstructure within a part. By combining thermal history and deposition shape from fluid mechanics with residual stress and material property evolutions from solid mechanics, additional fidelity and precision are incorporated into additive manufacturing process simulations providing new insight into complex DED builds.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Inference of neutrino flavor evolution through data assimilation and neural differential equations

The evolution of neutrino flavor in dense environments such as core-collapse supernovae and binary compact object mergers constitutes an important and unsolved problem. Its solution has potential implications for the dynamics and heavy-element nucleosynthesis in these environments. In this paper, we build upon recent work to explore inference-based techniques for the estimation of model parameters and neutrino flavor evolution histories. Here, we combine data assimilation, ordinary differential equation solvers, and neural networks to craft an inference approach tailored for nonlinear dynamical systems. Using this architecture, and a simple two-neutrino-beam, two-flavor model, we compare the performances of nine different optimization algorithms and expand upon previous assessments of the efficacy of inference for tackling problems in flavor evolution. We find that employing this new architecture, together with evolutionary optimization algorithms, accurately captures flavor histories in the small-scale model and allows us to quickly explore both model parameters and initial flavor content. In future work we plan to extend these inference techniques to large numbers of neutrinos.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Building Neutron Scattering Infrastructure in Louisiana for Advanced Materials (Final Report)

The main objective of the Louisiana Consortium for Neutron Scattering (LaCNS) is to build a major neutron scattering infrastructure capable of treating both soft and hard materials. The goal is to create a sustainable effort having the quality, breadth, and depth necessary to produce competitive proposals including collaborative and center type proposals. Our scientific aim is to understand the role of coupling in emergent complex materials and its impact on the structure/property relationship and to explore how to tune the key couplings to guide the design of materials with the desired properties. This naturally includes building a base of users of the Spallation Neutron Source (SNS) and the High Flux Isotope Reactor (HFIR) in Louisiana; to train highly talented graduate and post-doctoral students in synthesis, neutron scattering, and simulation and modeling techniques, thereby helping to produce the next generation of scientist who use neutron scattering techniques as a crucial part of their research. The goal of our hard matter program is to understand the interplay between spin, charge, orbital, and lattice degrees of freedom in carefully selected complex materials. We have made considerable progress on number of complex systems including the oxide Sr3(Ru1-xMnx)2O7 where short-range magnetic ordering with anisotropic spin texture is initiated at the metal-insulator transition that clearly indicates a strong spin-charge coupling. Another critical area is in quantum materials. For example, in the topological semimetal BaMnSb2, we found a 3D canted antiferromagnetic Weyl semimetal with a 2D electronic structure and a nontrivial Berry phase. In addition, in the hexagonal chiral Mn1/3NbS2 system, we found soliton/soliton and soliton/antisoliton domain walls where the application of small fields or small currents can be used to control nanoscopic magnetic domains where the control of domain walls is crucially important for information storage. In addition, chemical transformation investigations were performed on the VISION instrument at Spallation Neutron Source (SNS). The soft matter effort was focused on understanding the role of non-covalent interactions on the structure and dynamics of fluid-based soft matter. One key focus was on sequence-defined (SD) amphiphilic peptoid polymers that allow encoding of molecular interactions and thereby systematic investigations of how charge directs the solution self-assembly of amphiphilic polymers in water. Another important area was on the dynamics of lipids self-assembled into membranes for exploring the permeability and mechanical using both neutron spin echo (NSE) spectroscopy and quasielastic neutron scattering (QENS) to distinguished between viscoelasticity and permeability at the molecular scale. Overall, the LaCNS project was quite successful, generating 145 publications and 245 presentations. Our graduate and post-doctoral students were well trained resulting in positions in national laboratories (Oak Ridge National Laboratory (ORNL), Argonne National Laboratory and Los Alamos National Laboratory), major research universities, and industry. We also developed a uniaxial pressure cell along with ORNL for SNS. A critical goal of this project was to establish a foundation for competing nationally in federally funded research programs. To this end, we were quite successful in generating over twenty-two federally and non-federally funded grants including awards from NSF, DOE, and DOD, and two early career awards. Equally important, we were able to secure a key major piece of instrumentation via a large ARO grant for a state-of-the-art electron microscope.

36 MATERIALS SCIENCE↗

DOE OSTI2020

The Accelerator Neutrino Neutron InteractionExperiment: Design, Construction and Preparationfor First Physics

This thesis covers work performed for the Accelerator Neutrino Neutron Interaction Experiment (ANNIE) between 2015 and 2020. ANNIE is a beamline neutrino experiment located at the Fermi National Accelerator Laboratory in Chicago. Its primary physics goals are the measurement of neutrino interaction cross-sections on oxygen, and a measurement of the multiplicity of final state neutrons from these interactions, both as functions of final state kinematics. In order to achieve these goals ANNIE will be pioneering the use of Large Area Picosecond Photodetectors and the use of gadolinium doping to enhance neutron visibility in a water Cherenkov detector. Over the time period of this thesis the ANNIE detector was constructed, an initial 'Phase I' background run was completed, the detector was decommissioned and then substantially upgraded in preparation for the main 'Phase II' physics run. At the time of writing ANNIE is being re-commissioned, with Phase II data taking anticipated to begin in 2021. During this time I spent 21/2 years on-site contributing to almost all aspects of hardware work, while performing software development for the simulation and analysis frameworks. As my first software task I developed Monte Carlo simulations of the detector response, based on the WCSim framework. While thismore » framework provided a starting point for the tank simulation significant modifications were required to implement the complete ANNIE detector system. This included a rewrite of the geometry, along with modifications to the photosensor definitions, hit collections, digitization, triggering, input and output interfaces, etc. To take advantage of improved modelling of neutrons in Geant4.10 the physics lists were also reimplemented in the new version format. As part of this work I determined performance metrics based on the output files, calculating kinematic acceptance, detector efficiency and expected event rates. My contributions on reconstruction focused primarily on the MRD, for which I implemented two track reconstruction algorithms, specialised for high and low energy muons. The high energy algorithm achieves >90% efficiency for tracks with at least 8 hits, and is robust against dead paddles and unrelated hits. The low energy algorithm performs a search in combination with tank information to provide sensitivity down to a single MRD hit. Early data handling work for the Phase I background run included writing the code for handling TDC hits and performing studies on neutron detection without the requirement of multi-hit coincidence. As the collaboration moved to a new framework for the Phase II analysis I performed a substantial amount of work to develop the codebase, implementing tools to perform tasks such as file IO, data parsing, waveform processing, event building, timestamp alignment, time clustering, hit residual calculation, event visualisation etc. I helped develop the python API for integrating multi-language tools, and ported the framework into a Singularity container to provide a self-contained environment that…« less

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Scalable semitransparent prototype organic photovoltaic module with minimal resistance loss

Semi-transparent organic photovoltaic (ST-OPV) cells are regarded as an attractive solution to building-integrated solar energy harvesting. Both the power conversion efficiency (PCE) and average photopic transmission (APT) of ST-OPVs have shown substantial increases in recent years. However, less attention has been paid to the area scaling of ST-OPV cells. In this work, we investigate the scalability of ST-OPV cells from 4 mm 2 to 1 cm 2 , as well as 9 cm 2 active area prototype module. By integrating both top and bottom metal grids onto the transparent electrodes, the series resistance loss of 1 cm 2 ST-OPV cell is significantly reduced, and is comparable to that of the grid-free 4 mm 2 cell. Nine 1 cm 2 cells are then connected in a series-parallel circuit to realize a prototype ST-OPV module. A 100% fabrication yield with only 5% PCE deviation among discrete cells is achieved. The semitransparent module shows PCE = 7.2 ± 0.1% under simulated AM 1.5G illumination at 1 sun intensity, which exhibits no connection resistance loss compared to that of the individual cells. The ST-OPV module exhibits an APT = 38.1 ± 1.1%, which enables a light utilization efficiency, LUE = 2.74 ± 0.09%. Here, the method demonstrates a promising way for ST-OPV modules to scale without compromising performance.

14 SOLAR ENERGY↗

DOE OSTI2026

From models to reality: a systematic review on simulated and measured residential heat pump energy savings

High-performance HVAC solutions are central to residential energy management. A substantial share of these are electric, reversible-cycle systems, with heat pumps representing the largest portion of current and near-term adoption. This review synthesizes peer-reviewed and grey literature on residential space heating and cooling heat pumps. The academic literature is dominated by modeling (73.8%), with limited field measurement (13.1%). Grey literature from United States serve as a supplemental resource providing measured savings. Conversions from electric-resistance heating consistently show the largest site energy reductions, while oil/propane baselines yield moderate savings, and gas baseline scenario often deliver small and region-dependent savings. This study cross-checks the grey literature measured data with simulation data filtered from the ResStock dataset. The comparison indicates a discrepancy between simulations and measured data: simulated site EUIs are typically lower than measured EUIs, but percentage energy savings fall in similar ranges, implying simulations capture directional effects while underestimating energy use. Factors associated with variability and model–measurement differences include system characterization and control representation (e.g., backup heat engagement, thermostat/setpoint strategies, commissioning/installation quality), occupant behavior, weather normalization, metering scope, and envelope characterization. This paper also outlines the proposed methodology for comparing simulation and measured data for heat pumps. It emphasizes the metrics used for comparison and units harmonization, building characteristics matching, and compact metadata are needed for simulations to match measured data. The proposed methodology is expected to improve the credibility of simulated savings as measured evidence grows.

Yu, Lili↗

DOE OSTI2020

Stellar and weak lensing profiles of massive galaxies in the Hyper-Suprime Cam survey and in hydrodynamic simulations

ABSTRACT We perform a consistent comparison of the mass and mass profiles of massive (M⋆ > 1011.4 M⊙) central galaxies at z ∼ 0.4 from deep Hyper Suprime-Cam (HSC) observations and from the Illustris, TNG100, and Ponos simulations. Weak lensing measurements from HSC enable measurements at fixed halo mass and provide constraints on the strength and impact of feedback at different halo mass scales. We compare the stellar mass function (SMF) and the Stellar-to-Halo Mass Relation (SHMR) at various radii and show that the radius at which the comparison is performed is important. In general, Illustris and TNG100 display steeper values of α where $M_{\star } \propto M_{\rm vir}^{\alpha }$. These differences are more pronounced for Illustris than for TNG100 and in the inner rather than outer regions of galaxies. Differences in the inner regions may suggest that TNG100 is too efficient at quenching in situ star formation at Mvir ≃ 1013 M⊙ but not efficient enough at Mvir ≃ 1014 M⊙. The outer stellar masses are in excellent agreement with our observations at Mvir ≃ 1013 M⊙, but both Illustris and TNG100 display excess outer mass as Mvir ≃ 1014 M⊙ (by ∼0.25 and ∼0.12 dex, respectively). We argue that reducing stellar growth at early times in $M_\star \sim 10^{9-10} \, \mathrm{M}_{\odot }$ galaxies would help to prevent excess ex-situ growth at this mass scale. The Ponos simulations do not implement AGN feedback and display an excess mass of ∼0.5 dex at r < 30 kpc compared to HSC which is indicative of overcooling and excess star formation in the central regions. The comparison of the inner profiles of Ponos and HSC suggests that the physical scale over which the central AGN limits star formation is r ≲ 20 kpc. Joint comparisons between weak lensing and galaxy stellar profiles are a direct test of whether simulations build and deposit galaxy mass in the correct dark matter haloes and thereby provide powerful constraints on the physics of feedback and galaxy growth. Our galaxy and weak lensing profiles are publicly available to facilitate comparisons with other simulations.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Gripper Test Assembly Status Report (FY2020)

Refueling systems for fast reactors are designed to handle fresh and used core assemblies (fuel, reflector, and shield core assemblies) within the reactor vessel in an opaque coolant environment without visual reference. These refueling machines are designed to work in a sodium (or other fast reactor coolant) and argon vapor space environment and are engineered with the rotatable plug system to allow for the movement of fresh and spent fuel into and out of the reactor core. The refueling machines are a critical component in any reactor and thus need to undergo extensive testing in a prototypic environment to ensure that they will meet all of the system functions and requirements. Argonne has developed an innovative compact refueling system design for the Advanced Fast Reactor-100 that is based upon some mechanisms used in previous reactor designs, such as the U.K.’s Prototype Fast Reactor (PFR) and some mechanisms that have not been used in sodium. This compact refueling machine supports the reduction in size of the AFR-100’s reactor vessel, and if fully developed, would support and inform the development of the in-vessel refueling machines for such commercial reactors as the GEH PRISM reactor plant, the ARC Clean Energy’s ARC-100 reactor, and the Natrium reactor, among others. This refueling system is a vital component of a fast reactor that supports reducing the cost of the reactor and increasing its reliability. During the development of the compact fuel handling machine conceptual design for the AFR-100, a lack of testing data for many mechanical components in sodium under typical in-reactor loads and conditions was discovered. The reduction in lifetime of the various mechanical components in the liquid sodium environment needs to be quantified versus the calculated component lifetimes under normal conditions in the testing while they are subjected to typical loading profiles experienced in the past. The Gripper Test Assembly discussed here includes a full-size gripper device with appropriate mechanical features that will be tested in sodium to provide this testing data. The Gripper Test Assembly is used to test various mechanical fuel handling components submerged in high temperature liquid sodium. These mechanisms are gears, bearings, gripper jaws and head, universal joints and shafts, ball screws, among others. These components will be tested under the typical sodium environmental conditions experienced during refueling operations with appropriate loading conditions that simulate the removal and insertion of core assemblies into a fast reactor grid plate structure. This Gripper Test Assembly is the second in a series of refueling system mechanisms developed for testing in sodium. The first test assembly is the Gear Test Assembly (GTA) which was used to test the performance of gears and bearings operating in sodium. Because of the successful testing conducted with the GTA, it was decided to continue with the development of the Gripper Test Assembly which uses the same gears and bearings tested in GTA. Using the data collected during operation of this gripper test assembly, lifetime reduction factors of the various mechanical components can be calculated for the material combinations selected. These lifetime reduction factors can be used in the design of future mechanical systems which operate in these environments to accurately predict component end of life. In addition, an understanding of the ability of these components and mechanisms to operate under-sodium with the chosen materials will be accomplished. Again, this Gripper Test Assembly is the follow-on test article to the Gear Test Assembly which was testing the ability of gears and bearings operating in a sodium environment. Once fabricated and qualified, it will be tested in the Mechanism Engineering Test Loop (METL) facility located in Building 308 at Argonne National Laboratory.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2021

Next-generation yeast-two-hybrid analysis with Y2H-SCORES identifies novel interactors of the MLA immune receptor

Protein-protein interaction networks are one of the most effective representations of cellular behavior. In order to build these models, high-throughput techniques are required. Next-generation interaction screening (NGIS) protocols that combine yeast two-hybrid (Y2H) with deep sequencing are promising approaches to generate interactome networks in any organism. However, challenges remain to mining reliable information from these screens and thus, limit its broader implementation. Here, we present a computational framework, designated Y2H-SCORES, for analyzing high-throughput Y2H screens. Y2H-SCORES considers key aspects of NGIS experimental design and important characteristics of the resulting data that distinguish it from RNA-seq expression datasets. Three quantitative ranking scores were implemented to identify interacting partners, comprising: 1) significant enrichment under selection for positive interactions, 2) degree of interaction specificity among multi-bait comparisons, and 3) selection of in-frame interactors. Using simulation and an empirical dataset, we provide a quantitative assessment to predict interacting partners under a wide range of experimental scenarios, facilitating independent confirmation by one-to-one bait-prey tests. Simulation of Y2H-NGIS enabled us to identify conditions that maximize detection of true interactors, which can be achieved with protocols such as prey library normalization, maintenance of larger culture volumes and replication of experimental treatments. Y2H-SCORES can be implemented in different yeast-based interaction screenings, with an equivalent or superior performance than existing methods. Proof-of-concept was demonstrated by discovery and validation of novel interactions between the barley nucleotide-binding leucine-rich repeat (NLR) immune receptor MLA6, and fourteen proteins, including those that function in signaling, transcriptional regulation, and intracellular trafficking.

59 BASIC BIOLOGICAL SCIENCES↗