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DOE OSTI2021

Numerical Codes for the DESC-LSST Analysis Pipeline: Core Cosmology Library Standard Modules and Beyond wCDM Modules (Final Technical Report)

The overall objective of the project is to investigate and develop specific software modules and analysis components for the software pipeline of LSST Dark Energy Science Collaboration (DESC). Following the key projects of DESC Science Roadmap (SRM), we will write and test computer codes for the Core Cosmology Library (CCL) in order to complete its modules, functionalities, and interface to work with the analysis pipelines from the five science probes of DESC (parts of SRM deliverables CX4.2TJP, CX6.2CS). We will also code modules for CCL to test models beyond w-Cold-Dark-Matter (wCDM) and modification to gravity (MG). Interfaces for MG models will also be developed for the TJPCOSMO software which is the main pipeline of the Theory and Joint Probe (TJP) working group (deliverable TJP2.3). In order to use the full power of LSST data to constrain MG models, we will also work on constraints from nonlinear regime by running and analyzing MG N-Body simulations using a Parameterized-Post-Friedmann framework into the Gadget-2 simulation package (deliverable TJP2.2). Preliminary results for the simulations were obtained in the past. In collaboration with other DESC groups, we plan to make these simulations feedable to cosmic emulators that are practical for likelihood analyzes (deliverable TJP2.2, parts of CX6.2CS). We will also modify and integrate our current codes for consistency tests between data sets and probes into the pipeline (parts of deliverables CX8.2TJP, TJP2.3). We understand that other groups will contribute to some of these objectives but our team will focus and collaborate with others on the particular part of testing MG and models beyond wCDM and refine the DESC pipeline for this purpose. PI has been coordinating his work with the TJP and CS working groups and the DESC management team. PI is a full member of DESC since June 2013. He and his students have been contributing to LSST-DESC activities and work including TJP telecons, collaboration meetings, hack-weeks, and workshops. PI chaired or co-chaired sessions at collaboration meetings and hack-weeks about testing gravity and models beyond wCDM using LSST. He is coordinating the TJP2 projects for testing models beyond wCDM including the writing of DESC-research-note, development of code for pipeline, and N-Body simulations for MG and beyond wCDM models testable with LSST analyses. As stressed in the DESC white paper, SRM, and P5 report, one of the important questions in understanding cosmic acceleration and dark energy is to be able to distinguish whether the acceleration is due to a dark energy component in the universe or a modification to gravity. Answering these questions will have a significant impact on the question of cosmic acceleration and dark energy. The methods that we will use include analytical work, numerical code, and N-Body simulations. A first approach that that we will use consists of using growth rate parameters that enter the perturbed dynamics equations. These parameters take distinctive values for distinct gravity theories and have potential to distinguish between Dark Energy and Modified Gravity. The second method is to look for inconsistencies in Dark Energy parameter spaces using specific combinations of cosmological data sets. Our investigation addresses the Dark Energy problem that is relevant to the mission of the HEP program to understand how our universe works at its most fundamental level. It will allow us to make progress on the HEP mission to explore the nature of Dark Energy and the basic nature of space and time using future surveys such as LSST. The investigation supports the DOE HEP program Cosmic Frontier as it will contribute to the study and understanding of dark energy and fundamental properties of the universe. The investigation contributes directly to LSST-DESC key projects and their deliverables as described in the Science Road-map document to build analysis pipeline and to test dark energy and beyond wCDM models using LSST.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Experimental performance analysis of a dual source heat pump integrated with thermal energy storage

To mitigate disturbances to the electric grid resulting from the growing penetration of intermittent and decentralized renewable generation, a dual-source (air source and ground source) heat pump (DSHP) integrated with thermal energy storage (TES) was developed. The DSHP can use either ambient air or the shallow subsurface of the ground to provide space heating or space cooling to the building as the conventional heat pump and produce hot/cold water for charging TES. Using dual sources (air and ground) can reduce the required size of the expensive ground heat exchangers while retaining high energy efficiency. During the off-peak period, the DSHP cools/heats the TES with low-cost electricity or overproduced renewable power. The stored cooling/heating energy in the TES is released during peak hours of the electric grid to meet the thermal demands of the building without consuming electricity to run the DSHP. A 2-ton (7 kW) prototype DSHP was developed and integrated with a 50-gallon (189 L) TES tank filled with a phase change material. Field tests were conducted to characterize the performance of the integrated system operating in various operation modes.

Wang, Lingshi↗

DOE OSTI2023

Development of the Generation 3 Particle Pilot Plant Falling Particle Receiver

A falling particle receiver (FPR) has been designed to integrate with the G3P3-USA pilot plant currently being constructed at the National Solar Thermal Test Facility (NSTTF) at Sandia National Laboratories. This receiver integrates several innovative design features including a converging tunnel (SNOUT), an optimized cavity geometry, and a multistage “catch-and-release” trough. Details about the integration of these features and the final G3P3-USA FPR design and construction are described. Ray-tracing models of the FPR utilizing the NSTTF heliostat field are developed leveraging previous modeling efforts using SolTrace. Models demonstrate that at least 1.5 MWth of incident radiative energy can be provided to the FPR on a clear day throughout a typical year in Albuquerque, NM. Spillage fluxes around the periphery of the aperture are within acceptable bounds for the majority of the year. Intercept factors are computed for each utilized heliostat at the Vernal equinox to provide guidance to heliostat operators during operation of the system.

Mills, Brantley↗

DOE OSTI2020

Scattering using real-time path integrals

Background: Path integrals are a powerful tool for solving problems in quantum theory that are not amenable to a treatment by perturbation theory. Most path integral computations require an analytic continuation to imaginary time. While imaginary time treatments of scattering are possible, imaginary time is not a natural framework for treating scattering problems. More importantly, quantum algorithms for calculating path integrals require real-time evolution. Purpose: Here, we test a recently introduced method for performing direct calculations of scattering observables using real-time path integrals in order to understand the challenges facing real-time path integral calculations of scattering observables. Method: The computations are based on a new interpretation of the path integral as the expectation value of a potential functional on cylinder sets of continuous paths with respect to a complex probability distribution. The method can in principle be applied to arbitrary short-range potentials. Results: The method is applied to compute matrix elements of Møller wave operators applied to narrow wave packets. These are used to calculate half-shell sharp-momentum transition matrix elements for one-dimensional potential scattering. The calculations for half-shell transition operator matrix elements converge to the numerical solution of the Lippmann-Schwinger equation. Conclusions: This work presents a proof in principle that scattering observables can be computed using real-time Feynman path integrals. While the computational method is not efficient, it can be improved. It provides a laboratory for studying quantum computational algorithms that are applicable to scattering problems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Development of the Intelligent, Preventive Infrared (IR) Inspection System Housed in Hybrid Robotic Platforms

Robots and robotic systems that are designed for inspection, environmental study, and health and safety aid are becoming an increasing necessity. However, there is a number of challenges that accompany robots that are designed for these specific applications. These challenges include: navigating compact, enclosed spaces, travelling over multiple terrains and large obstacles, using the proper sensing and detection methods to assess an environment, and the use of lightweight and durable materials. The robotic platforms currently in development look at all of these challenges and attempt to overcome them. These designs specific use of hybrid robotic platforms, or platform that utilizes soft and rigid materials, allows for a more flexible platform and makes environments more navigable. To further improve the navigation of the platforms and environmental assessment, a novel infrared detection system is housed in the platforms to create a robot that can be used for the applications listed above and more. Objectives: Further develop two types of robotic platforms that utilize additive manufacturing, soft materials, and rigid materials. Continue the development of an intelligent and inhibitory infrared detection system based on an artificial intelligence (AI) algorithm. Continued study and fabrication of active soft materials designed for both sensing and actuation in hybrid robotic systems. Improve additive manufacturing fabrication to design rigid and semi-rigid components for hybrid robotic platforms. Transformable Wheel Robotic Platform: The chassis, wheels, tires and inspection system housing use different additive manufacturing techniques for fabrication. Continued work with additive manufacturing has lead to studies in metal-based printing and modular design and manufacturing. The new platform design with integrated electrical component printed. This will allow integration of the sensor housing onto the platform. Electrical components are being tested for battery life and performance. To improve this performance, such as integration of Lithium Polymer (LiPo) batteries. Snake Robotic Platform: The main focus of the development has centered around liquid-based soft actuators. That act on the principles of electrostatic and hydraulic actuation. A liquid dielectric sits between two compliant electrodes, contained by a flexible polymer shell. The electrodes and film gradually collapse toward each other from one corner of the electrode to the other. When the electrodes and film close together, a majority of the fluid is pushed into the area not covered by an electrode. A thin layer of the liquid dielectric remains between the electrode. The actuators will be stacked to cause large displacement, and move the linkages. The chassis of this platform uses purely additively manufactured linkages. Intelligent, Preventive IR Inspection System: Development of the AI for the system has lead to using a Scikit-Learn which assists in creating predictive models based on Regression, clustering, classification etc. To improve the infrared thermometry for low emissivity sources, work on the fabrication of a tandem photoconductive infrared thermometer was a main focus. Distance-Voltage-Temperature response data has been collected in the range of 7 cm - 100 cm and 200-400 deg. C. Modifications were made to the existing test bench to have a better control over the data. Automated data collection was realized using a Python code and an Arduino controlled stepper motor to increase the sample rate. A protective enclosure has been built around the setup to minimize the effect of the environment on the measurements. To better predict temperature, different AI models are being optimized. The regression model, LARS showed a high accuracy but had convergence issues and only works for the current test set-up. Results: The Transformable Wheel Robot has developed into a more flexible and modular platform. With the improvements to the current work, effort on the tire or soft gripper design been a large focus. The soft grippers will be interchange able to allow for increased performance in identified terrain types. The development of the liquid-based actuators allows the snake robotic platform to achieve the goals of being flexible and able to navigate confined spaces. However, there is room for improvement. Optimization work is currently being done in COMSOL Multiphysics. With the current IR system set-up the LARS model perfectly predicts the data; however, considering the mobility aspect of the project other models will allow for an optimized system. Testing of other model types is currently being done.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2024

Sample Testing Basket: Design and Capabilities Report

SFR designs all require integral components that can withstand prolonged submersion in the liquid sodium primary coolant as well as in the gas space of the reactor vessel. Materials are often desired to withstand these conditions for the lifetime of the reactor. The Sample Testing Basket (STB) was designed and fabricated to meet the anticipated need for material exposure testing in prototypic reactor coolant environments; in the liquid sodium primary coolant and the sodium-vapor-laden gas space. Developed at Argonne National Laboratory (ANL), the STB is a piece of equipment designed for use in the Mechanisms Engineering Test Loop (METL) to allow for sodium exposure testing of materials within the METL facility.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2025

Design and Flow Considerations of Additively Manufactured, Internal Cooling Geometries for Small Industrial Gas Turbines

Additive manufacturing is now a mainstream technology and can be utilized to rapidly develop and test turbine airfoil cooling networks. This paper reports on an ongoing effort to integrate advanced internal cooling architectures in a realistic blade profile for test in a high-speed cascade. Airfoil cooling schemes were developed using reduced order modeling and computer aided design. However, the additive manufacturing impacts on cooling channel flow performance were unknown. Test articles consisting of typical cooling features and networks were derived from the designs and flow proved to identify additive manufacturing impacts on performance and develop guidelines to mitigate these impacts.

additive manufacturing↗

DOE OSTI2020

Distributions in CFT. Part I. Cross-ratio space

We show that the four-point functions in conformal field theory are defined as distributions on the boundary of the region of convergence of the conformal block expansion. The conformal block expansion converges in the sense of distributions on this boundary, i.e. it can be integrated term by term against appropriate test functions. This can be interpreted as a giving a new class of functionals that satisfy the swapping property when applied to the crossing equation, and we comment on the relation of our construction to other types of functionals. Our language is useful in all considerations involving the boundary of the region of convergence, e.g. for deriving the dispersion relations. We establish our results by elementary methods, relying only on crossing symmetry and the standard convergence properties of the conformal block expansion. This is the first in a series of papers on distributional properties of correlation functions in conformal field theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

A compact design for an electric driven hydraulic gear machine capable of multiple quadrant operation

This paper presents an innovative design of an integrated electro-hydraulic (EH) flow generation unit able to operate in multiple quadrants. The proposed unit is composed of a hydraulic machine which can operate in either pumping or motoring mode, and an electric machine, which can operate as electric motor or generator. The adopted morphological integration of the two unit fulfills the goals of maximizing compactness, power to weight ratio, energy efficiency and quietness. Furthermore, the design results from a numerical optimization procedure that includes detailed simulation of both the electric machine and the hydraulic machine, using simulation tools previously developed by the authors, but combined for the first time in this work. After describing the optimization procedure, the paper focuses on the design integration aspects of the novel unit. A 9 kW prototype of the integrated unit was also fabricated and tested to verify its performance. Tests results show a measured overall energy efficiency up to 69%, demonstrating the potentials of the proposed concept, despite some limitations present in the first prototypes which could be addressed in future design refinements.

42 ENGINEERING↗

DOE OSTI2025

Flow instabilities in helical-coil steam generators for small modular reactors: A review

Here, this study covers the research and discoveries in two-phase flow-boiling instabilities available in the literature—specifically for a helical-coil steam generator (HCSG), including experimental findings, theoretical research, computational models, and system code analyses—supporting research and development of representative small modular reactors (SMRs). Like other new and advanced reactor systems, water-cooled SMRs require experimental data from both integral and separate thermal-hydraulics test facilities for the verification and validation (V&V) of the computational models and computer codes in order to design and obtain regulatory approval. The complex dynamics of two-phase flow-boiling instabilities includes flow regimes physics phenomena, flow-channel geometries, heat-transfer behavior, and interactions among the solid–liquid-gas within the system boundary, all of which are pivotal for understanding the design and operational challenges of SMRs. This study focuses on identifying the relevant knowledge gaps on boiling instabilities—specifically for a HCSG—and provides insights about future research direction optimizing the transport of thermal energy, mass-flow rates, and boundary conditions that ensure the adequate heat-transfer performance, operational stability, and safety associated with SMR systems.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2023

Note on the definitions of branching ratios of overlapping resonances

Branching ratios for the decay of hadrons with large width or near thresholds depend on their definition. We test different definitions and show that rather different branching ratios can be obtained. For wide resonances and for sequential decays with wide intermediate resonances, integration over the spectral functions is mandatory. The tests are performed exploiting the latest solution of the Bonn-Gatchina multi-channel analysis and published values for residues of light scalar mesons. For a resonance overlapping with a threshold, in case its pole lies in a non-adjacent sheet, we show how the total width, needed for the branching ratios, does not correspond to the imaginary part of the pole position. We use the Madrid-Krakow dispersive parameterizations to illustrate this situation with the f 0 (980).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Enhancing Streamflow Forecast and Extracting Insights Using Long-Short Term Memory Networks With Data Integration at Continental Scales

Recent observations with varied schedules and types (moving average, snapshot, or regularly spaced) can help to improve streamflow forecasts, but it is challenging to integrate them effectively. Based on a long short-term memory (LSTM) streamflow model, we tested multiple versions of a flexible procedure we call data integration (DI) to leverage recent discharge measurements to improve forecasts. DI accepts lagged inputs either directly or through a convolutional neural network unit. DI ubiquitously elevated streamflow forecast performance to unseen levels, reaching a record continental-scale median Nash-Sutcliffe Efficiency coefficient value of 0.86. Integrating moving-average discharge, discharge from the last few days, or even average discharge from the previous calendar month could all improve daily forecasts. Directly using lagged observations as inputs was comparable in performance to using the convolutional neural network unit. Importantly, we obtained valuable insights regarding hydrologic processes impacting LSTM and DI performance. Before applying DI, the base LSTM model worked well in mountainous or snow-dominated regions, but less well in regions with low discharge volumes (due to either low precipitation or high precipitation-energy synchronicity) and large interannual storage variability. DI was most beneficial in regions with high flow autocorrelation: it greatly reduced baseflow bias in groundwater-dominated western basins and also improved peak prediction for basins with dynamical surface water storage, such as the Prairie Potholes or Great Lakes regions. However, even DI cannot elevate performance in high-aridity basins with 1-day flash peaks. Despite this limitation, there is much promise for a deep-learning-based forecast paradigm due to its performance, automation, efficiency, and flexibility.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Finite-temperature coupled cluster: Efficient implementation and application to prototypical systems

In this work, we discuss the theory and implementation of the finite temperature coupled cluster singles and doubles (FT-CCSD) method including the equations necessary for an efficient implementation of response properties. Numerical aspects of the method including the truncation of the orbital space and integration of the amplitude equations are tested on some simple systems, and we provide some guidelines for applying the method in practice. The method is then applied to the 1D Hubbard model, the uniform electron gas (UEG) at warm, dense conditions, and some simple materials. The performance of model systems at high temperatures is encouraging: for the one-dimensional Hubbard model, FT-CCSD provides a qualitatively accurate description of finite-temperature correlation effects even at U = 8, and it allows for the computation of systematically improvable exchange–correlation energies of the warm, dense UEG over a wide range of conditions. We highlight the obstacles that remain in using the method for realistic ab initio calculations on materials

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Coordinate parameterisation and spectral method optimisation for Beltrami field solver in stellarator geometry

The numerical solution of the stepped pressure equilibrium (Hudson et al 2012 Phys. Plasmas 19 112502) requires a fast and robust solver to obtain the Beltrami field in three-dimensional geometry such as stellarators. The spectral method implemented in the stepped pressure equilibrium code (SPEC) is efficient when the domain is a hollow torus, but ill-conditioning of the discretised linear equations occurs in the (solid) toroid due to the artificially singular coordinate parameterisation near the axis. Here, we propose an improved choice for the reference axis to prevent coordinates surfaces from overlapping. Then, we examine the parity and asymptotics of the magnetic vector potential near the axis and suggest the use of recombined and rescaled Zernike radial basis functions. The maximum relative error in the magnetic field of the Wendelstein 7-X geometry is shown to reach 10 –9 at high resolution in a series of convergence tests and benchmarks against the boundary integral equation solver for Taylor states. The new method is also reported to significantly improve the accuracy of multi-volume SPEC calculations. A comparison between free-boundary SPEC and the analytical Dommaschk potential is presented with higher-than-usual Fourier resolution. It is illustrated that we are able to resolve low amplitude current sheets when an interface is placed where there is no flux surface in the analytic solution. This was previously concealed because of insufficient numerical resolution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

Response of a CMS HGCAL silicon-pad electromagnetic calorimeter prototype to 20–300 GeV positrons

The Compact Muon Solenoid collaboration is designing a new high-granularity endcap calorimeter, HGCAL, to be installed later this decade. As part of this development work, a prototype system was built, with an electromagnetic section consisting of 14 double-sided structures, providing 28 sampling layers. Each sampling layer has an hexagonal module, where a multipad large-area silicon sensor is glued between an electronics circuit board and a metal baseplate. The sensor pads of approximately 1.1 cm$^{2}$ are wire-bonded to the circuit board and are readout by custom integrated circuits. The prototype was extensively tested with beams at CERN's Super Proton Synchrotron in 2018. Based on the data collected with beams of positrons, with energies ranging from 20 to 300 GeV, measurements of the energy resolution and linearity, the position and angular resolutions, and the shower shapes are presented and compared to a detailed Geant4 simulation.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

New candidates for regulated gene integrity revealed through precise mapping of integrative genetic elements

Abstract Integrative genetic elements (IGEs) are mobile multigene DNA units that integrate into and excise from host bacterial genomes. Each IGE usually targets a specific site within a conserved host gene, integrating in a manner that preserves target gene function. However, a small number of bacterial genes are known to be inactivated upon IGE integration and reactivated upon excision, regulating phenotypes of virulence, mutation rate, and terminal differentiation in multicellular bacteria. The list of regulated gene integrity (RGI) cases has been slow-growing because IGEs have been challenging to precisely and comprehensively locate in genomes. We present software (TIGER) that maps IGEs with unprecedented precision and without attB site bias. TIGER uses a comparative genomic, ping-pong BLAST approach, based on the principle that the IGE integration module (i.e. its int-attP region) is cohesive. The resultant IGEs from 2168 genomes, along with integrase phylogenetic analysis and gene inactivation tests, revealed 19 new cases of genes whose integrity is regulated by IGEs (including dut, eccCa1, gntT, hrpB, merA, ompN, prkA, tqsA, traG, yifB, yfaT and ynfE), as well as recovering previously known cases (in sigK, spsM, comK, mlrA and hlb genes). It also recovered known clades of site-promiscuous integrases and identified possible new ones.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Engineering Crassulacean Acid Metabolism in C 3 and C 4 Plants

Carbon dioxide (CO 2 ) is a major greenhouse gas contributing to changing climatic conditions, which is a grand challenge affecting the security of food, energy, and environment. Photosynthesis plays the central role in plant-based CO 2 reduction. Additionally, plants performing CAM (crassulacean acid metabolism) photosynthesis have a much higher water use efficiency than those performing C 3 or C 4 photosynthesis. Therefore, there is a great potential for engineering CAM in C 3 or C 4 crops to enhance food/biomass production and carbon sequestration on arid, semiarid, abandoned, or marginal lands. Recent progresses in CAM plant genomics and evolution research, along with new advances in plant biotechnology, have provided a solid foundation for bioengineering to convert C 3 /C 4 plants into CAM plants. Here, we first discuss the potential strategies for CAM engineering based on our current understanding of CAM evolution. Then we describe the technical approaches for engineering CAM in C 3 and C 4 plants, with a focus on an iterative four-step pipeline: (1) designing gene modules, (2) building the gene modules and transforming them into target plants, (3) testing the engineered plants through an integration of molecular biology, biochemistry, metabolism, and physiological approaches, and (4) learning to inform the next round of CAM engineering. Finally, we discuss the challenges and future opportunities for fully realizing the potential of CAM engineering.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2026

First results from a high-frame-rate, multi-GHz ionizing particle detection system geared toward accelerator diagnostic applications

An integrated detection system, consists of a thin diamond sensor incorporated into a compact signal loop, coupled in turn to an application-specific integrated circuit readout chip, has been tested for the first time, using ps-duration electron pulses from the Next Linear Collider Test Accelerator at the SLAC National Accelerator Laboratory. For readout frame rates as high as 120 kHz, the detection system is shown to achieve a linear dynamic range of 10 3 and a bandwidth of 4–5 GHz, with no ringing seen on the tail of the output pulse. These results represent the best-performing multi-GHz ionizing particle detection system achieved to date.

Ferezghi, Mohammadreza Mohseni [University of Cali↗