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DOE OSTI2022

State of Common Grid Services Definitions

This document is prepared as part of the Department of Energy’s Grid Modernization Laboratory Consortium (GMLC) 2.5.2 project, whose goal is to develop and socialize a common set of grid service definitions relevant to grid-related interactions with distributed energy resources (DER: responsive generation, storage, and loads), and to advance the concept and requirements of the Energy Services Interface (ESI) to the point of launching related interface standards and guides that can be implemented in communication protocols and business process definitions. The notion of “grid services” is integral to the definition of an ESI because a key principle of the ESI is that it permits coordination between grid operators and DER facilities in a way that is service-oriented, with an understanding of performance expectations. This document reviews the current state of grid service definitions, including those actively used in the market today as well as new services that have been proposed for future implementation. The document describes grid services used in transmission as well as distribution systems. In defining grid services, this document also distinguishes between two fundamental concepts: an “operational objective” and a “grid service,” which describes a generator’s or customer’s expected physical performance in delivering power to or consuming power from the grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Common Grid Services: Terms and Definitions Report

This document is prepared as part of the Department of Energy’s Grid Modernization Laboratory Consortium (GMLC) 2.5.2 project, whose goal is to develop and socialize a common set of grid service definitions relevant to grid-related interactions with distributed energy resources (DER: responsive generation, storage, and loads) and to advance the concept and requirements of the Energy Services Interface (ESI) to the point of launching related interface standards and guides that can be implemented in communication protocols and business process definitions. The notion of grid services is associated with the definition of an ESI because a key principle of the ESI is that it permits coordination between grid operators and DER facilities in a way that is service-oriented with an understanding of performance expectations. The project investigated the current state of North American grid service definitions from various market operators and utilities, as well as the Federal Energy Regulatory Commission and the North American Electric Reliability Corporation, actively used today (Liu et al. 2022). This document builds on that work to propose terms and definitions for a set of grid service types that address operational objectives commonly found in power system operations. These grid service types derive from existing grid services used in bulk electric market operations, recognizing that each operational authority uses somewhat different names with variations on service performance parameters. Finding commonality at the wholesale or bulk system operation level will hopefully engender progress in seeking agreement on grid services for DER engagement at the distribution level in the emerging retail marketplace.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2016

Updates to the Spatial Analysis and Decision Assistance (SADA) Freeware Tool - 16583

SADA is a collaboration between the University of Tennessee and Oak Ridge National Laboratory to present a freeware desktop application integrating environmental risk analytics, spatial modeling, and decision sciences for use at EPA, NRC, DOE, and DoD contaminated sites. The software embeds risk assessment, uncertainty modeling, and downstream decision processes within a spatial context. Updates to Version 6 will provide will include a rich GIS environment and a new 3-D visualization model which permits immersive visualization of contamination, with topology, and the built environment. The risk models presented are developed in conjunction with Superfund to implement all scenarios in their Regional Screening Levels (RSLs) and radionuclide preliminary remediation goals (PRGs). In addition, SADA will be able to ingest high resolution LandScan population data providing insights into the proximity of population to contamination. A brief overview of the progress in provided along with anticipated next steps. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2019

Decommissioning, Decontamination, and Disposal of LLW-LL, and ILW-LL at a Former Rare Earths Processing Facility in Malaysia - 19087

Geosyntec Consultants, Inc. (Geosyntec) was the design-build Contractor for a project involving the remediation and disposal of low level (LLW-LL and ILW-LL) NORM and TENORM wastes at a former rare earth processing facility in Malaysia. These sites were associated with a plant that extracted rare earth elements from local tin ores. Because of the naturally occurring radioactivity contained in the raw materials, these productions resulted in by-products and residues containing LLW-LL and ILW-LL thorium hydroxide and uranium hydroxide. The total mass of uranium (∼120 tons) and thorium (∼1,200 tons) managed in a single repository required the project design incorporate requirements related to inventory, security and safeguards around nuclear precursor materials. The requirement to consider a performance over a period of more than 10,000 years led to significant challenges in design and modeling of the disposal facility as this disposal facility was purposely designed and permitted as a final disposal for the LLW-LL and ILW-LL. The first phase of the project was the decommissioning, decontamination, and demolition of the 14- acre former rare earth processing plant and excavation of contaminated soils, construction of an engineered cell at the repository for waste disposal, and transportation and disposal of the waste materials into the cell. Final status surveys were carried out to allow the site to be successfully released by the Malaysian regulatory authorities as a clean site for re-development as common industrial use. Over 11,000 loads of material, including approximately 75,000 cubic meters of excavated soils and plant debris, were transported in specially designed steel transport boxes on public roads for disposal in the engineered cell. The second phase of the project included the design and construction of a second engineered cell, enhanced with protective barrier systems and a final cover system constructed of natural materials. Ancillary facilities such as substations, offices, processing buildings, and wastewater treatment plants were constructed to support retrieval and processing of the materials from more than 87,000 individual drums using a semi-automated process. The drums, waste packages, and other materials in the storage facility were systematically extracted, sorted, inventoried, solidified using Portland cement, transported, and disposed in the cell. All temporary facilities were decontaminated, demolished, and disposed in the cell. Radiological inventory and radiation safety programs were implemented to quantify the waste activity and to control exposure to workers and the public during the project. The total mass of radioactive contaminated waste disposed in the two projects is nearly 200,000 tons. The projects were carried out under a high level of scrutiny from Malaysian and international regulatory bodies. Between 2014 and 2017, performance monitoring and modeling activities were carried out to demonstrate that the disposal facility was performing in accordance with design requirements established by regulatory agencies. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2015

GRChombo : Numerical relativity with adaptive mesh refinement

In this work, we introduce GRChombo: a new numerical relativity code which incorporates full adaptive mesh refinement (AMR) using block structured Berger-Rigoutsos grid generation. The code supports non-trivial 'many-boxes-in-many-boxes' mesh hierarchies and massive parallelism through the message passing interface. GRChombo evolves the Einstein equation using the standard BSSN formalism, with an option to turn on CCZ4 constraint damping if required. The AMR capability permits the study of a range of new physics which has previously been computationally infeasible in a full 3 + 1 setting, while also significantly simplifying the process of setting up the mesh for these problems. We show that GRChombo can stably and accurately evolve standard spacetimes such as binary black hole mergers and scalar collapses into black holes, demonstrate the performance characteristics of our code, and discuss various physics problems which stand to benefit from the AMR technique.

Clough, Katy (ORCID:0000000188411522)↗
DOE OSTI2018

Two-point spectral model for variable-density homogeneous turbulence

We present a study of buoyancy-driven variable-density homogeneous turbulence, using a two-point spectral closure model. We compute the time-evolution of the spectral distribution in wave number $k$ of the correlation of density and specific volume $b$($k$), the velocity associated with the turbulent mass flux $a$($k$) , and the turbulent kinetic energy $E$($k$) , using a set of coupled equations. Under the modeling assumptions, each dynamical variable has two coefficients governing spectral transfer among modes. In addition, the velocity $a$($k$) has two coefficients governing the drag between the two fluids. Using a prescribed initial condition for $b$($k$) and starting from a quiescent flow, we first evaluate the relative importance of the different coefficients used to model this system and their impact on the statistical quantities. We next assess the accuracy of the model, relative to direct numerical simulation of the complete hydrodynamical equations, using $b$, $a$, and $E$ as metrics. We show that the model is able to capture the spectral distribution and global means of all three statistical quantities at both low and high Atwood number for a set of optimized coefficients. The optimization procedure also permits us to discern a minimal set of four coefficients which are sufficient to yield reasonable results while pointing to the mechanisms that dominate the mixing process in this problem.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Southeast Regional CO 2 Utilization and Storage Acceleration Partnership (SECARB-USA): Needs Assessment Framework for Storage Complexes

A team of SECARB storage experts examined 63 formations at 39 sites that were selected to represent the range of diversity of newly assessed, as well as well-advanced, storage prospects in the SECARB region. We inventoried the data needs triggered by the requirements to obtain a Class VI UIC storage permit, the data needs that results from the requirement to create geocellular fluid flow models to support that permit, and by pragmatic and best practice inputs such as public acceptance, regulatory readiness, and pore space leasing. We anchored both the needs inventory and the processes for and cost of meeting the needs with data from 9 sites in in the SECARB area that have advanced far in characterization.

42 ENGINEERING↗
DOE OSTI2017

Listing of 502 Times When the Ulysses Magnetic Fields Instrument Observed Waves Due to Newborn Interstellar Pickup Protons

In two earlier publications we analyzed 502 intervals of magnetic waves excited by newborn interstellar pickup protons that were observed by the Ulysses spacecraft. Due to the considerable effort required in identifying these events, we provide a list of the times for the 502 wave event intervals previously identified. In the process, we provide a brief description of how the waves were found and what their properties are. We also remind the reader of the conditions that permit the waves to reach observable levels and explain why the waves are not seen more often.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Building a new multiphysics workflow in MOOSE: application to tritium migration, trapping and advection in TMAP8

Fusion devices are anticipated to produce and consume several kilograms of tritium per year. This rare fuel resource is both highly mobile and radioactive, making tracking inventories a priority for operation and safety. The fusion safety program at the Idaho National Laboratory has been developing the Tritium Migration and Analysis Program (TMAP), of which the latest version is a MOOSE-based application. TMAP8 is verified against its predecessors and possesses additional multi-dimensional tritium migration modeling capabilities. As we extend its capabilities towards both whole device (in multiple dimensions) and whole plant (with multiple components) simulations, the syntax of inputs must become compact, descriptive, compatible with quality assurance processes, and as error-proof as achievable. The new Physics system developed MOOSE can set up equations and instantiating them on plant components. The system permits the automatic definition of complex discretization with a consistency between object parameters achieved programmatically. The Physics system can currently instantiate the equations for heat conduction and Navier Stokes weakly compressible flow. In MOOSE-terms, it automates the definition of kernels, boundary conditions, and several core and helper materials and fields. As part of this effort, Physics classes were developed for tritium migration, trapping and advection within either a multi-dimensional Navier Stokes fluid dynamics simulation, or a 1D thermal hydraulics piping system. In this presentation, we will showcase the new syntax, its application to several verification and validation cases which were already studied using the classical TMAP8 syntax, and a demonstration of the new coupling capabilities for the migration of tritium into blanket coolant channels and the subsequent advection into the coolant loop.

70 - PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

HP-TACO: A high-pressure triaxial compression apparatus for in situ x-ray measurements in geomaterials

Triaxial compression experiments are commonly used to characterize the elastic and inelastic behavior of geomaterials. In situ measurements of grain kinematics, particle breakage, stresses, and other microscopic phenomena have seldom been made during such experiments, particularly at high pressures relevant to many geologic and man-made processes, limiting our fundamental understanding. To address this issue, we developed a new triaxial compression device called HP-TACO (High-Pressure TriAxial COmpression Apparatus). HP-TACO is a miniaturized, conventional triaxial compression apparatus permitting confining pressures up to 50 MPa and deviatoric straining of materials, while also allowing in situ x-ray measurements of grain-scale kinematics and stresses. Here, in this study, we present the design of and first results from HP-TACO during its use in laboratory and synchrotron settings to study grain-scale kinematics and stresses in triaxially compressed sands subjected to 15 and 30 MPa confining pressures. The data highlight the unique capabilities of HP-TACO for studying the high-pressure mechanics of sands, providing new insight into micromechanical processes occurring during geologic and man-made processes.

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

An ASIC With A Low Power Multichannel ADC For Energy and Timing Measurements

Densely packed gamma-ray imaging and spectroscopy instruments employing high performance multichannel electronics occupy large volume and dissipate excessive power. Therefore, the availability of a low power application specific integrated circuit (ASIC) incorporating multiple channels of ADCs and post processing electronics is of critical importance for nuclear physics (NP) instrumentation. Currently available 12-bit 0.2GSps ADC channel count is usually not exceeding 8. Coarse technologies at 130nm or 180nm node usually used for implementing ADCs do not permit achieving low power consumption and cannot be arrayed on a chip. Thus, a new ADC device is required to satisfy the need of electronics for NP and commercial systems. The research carried out during the Phase I project aimed to prove the feasibility of implementing a 28nm CMOS based 32 channel 12-bit ADC ASIC. Most importantly for NP instrumentation, in addition to including a 32-channel ADC array, our proposed ASIC aims to provide digitized signal post-processing function. In current systems digitized signal post-processing is implemented in FPGAs. Thus, the functionality our ASIC provides is equivalent to the functionality currently realized using 8 ADC parts (each containing 4 channels), an FPGA and a great number of wiring between the ADCs and the FPGA. By using a single part instead of 9, our solution offers a great reduction in volume, power consumption and cost.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

The INTERSECT Open Federated Architecture for the Laboratory of the Future

A federated instrument-to-edge-to-center architecture is needed to autonomously collect, transfer, store, process, curate, and archive scientific data and reduce human-in-the-loop needs with (a) common interfaces to leverage community and custom software, (b) pluggability to permit adaptable solutions, reuse, and digital twins, and (c) an open standard to enable adoption by science facilities world-wide. The Selfdriven Experiments for Science/Interconnected Science Ecosystem (INTERSECT) Open Architecture enables science breakthroughs using intelligent networked systems, instruments and facilities with autonomous experiments, “self-driving” laboratories, smart manufacturing and artificial intelligence (AI) driven design, discovery and evaluation. It creates an open federated architecture for the laboratory of the future using a novel approach, consisting of (1) science use case design patterns, (2) a system of systems architecture, and (3) a microservice architecture.

Engelmann, Christian↗
DOE OSTI2024

VerSoX B07-B: a high-throughput XPS and ambient pressure NEXAFS beamline at Diamond Light Source

The beamline optics and endstations at branch B of the Versatile Soft X-ray (VerSoX) beamline B07 at Diamond Light Source are described. B07-B provides medium-flux X-rays in the range 45-2200 eV from a bending magnet source, giving access to local electronic structure for atoms of all elements from Li to Y. It has an endstation for high-throughput X-ray photoelectron spectroscopy (XPS) and near-edge X-ray absorption fine-structure (NEXAFS) measurements under ultrahigh-vacuum (UHV) conditions. B07-B has a second endstation dedicated to NEXAFS at pressures from UHV to ambient pressure (1 atm). The combination of these endstations permits studies of a wide range of interfaces and materials. The beamline and endstation designs are discussed in detail, as well as their performance and the commissioning process.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Evolution in Cloud Population Statistics of the MJO: From AMIE Field Observations to Global Cloud-Permiting Models

Motivated by the success of the AMIE/DYNAMO field campaign, which collected unprecedented observations of cloud and precipitation from the tropical Indian Ocean in Octber 2011 – March 2012, this project explored how such observations can be applied to assist the development of global cloud-permitting models through evaluating and correcting model biases in cloud statistics. The main accomplishment of this project were made in four categories: generating observational products for model evaluation, using AMIE/DYNAMO observations to validate global model simulations, using AMIE/DYNAMO observations in numerical studies of cloud-permitting models, and providing leadership in the field. Results from this project provide valuable information for building a seamless bridge between DOE ASR program’s component on process level understanding of cloud processes in the tropics and RGCM focus on global variability and regional extremes. In particular, experience gained from this project would be directly applicable to evaluation and improvements of ACME, especially as it transitions to a non-hydrostatic variable resolution model.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Full data acquisition in Kelvin Probe Force Microscopy: Mapping dynamic electric phenomena in real space

Kelvin probe force microscopy (KPFM) has provided deep insights into the role local electronic, ionic and electrochemical processes play on the global functionality of materials and devices, even down to the atomic scale. Conventional KPFM utilizes heterodyne detection and bias feedback to measure the contact potential difference (CPD) between tip and sample. This measurement paradigm, however, permits only partial recovery of the information encoded in bias- and time-dependent electrostatic interactions between the tip and sample and effectively down-samples the cantilever response to a single measurement of CPD per pixel. This level of detail is insufficient for electroactive materials, devices, or solid-liquid interfaces, where non-linear dielectrics are present or spurious electrostatic events are possible. Here, we simulate and experimentally validate a novel approach for spatially resolved KPFM capable of a full information transfer of the dynamic electric processes occurring between tip and sample. General acquisition mode, or G-Mode, adopts a big data approach utilising high speed detection, compression, and storage of the raw cantilever deflection signal in its entirety at high sampling rates (> 4 MHz), providing a permanent record of the tip trajectory. We develop a range of methodologies for analysing the resultant large multidimensional datasets involving classical, physics-based and information-based approaches. Physics-based analysis of G-Mode KPFM data recovers the parabolic bias dependence of the electrostatic force for each cycle of the excitation voltage, leading to a multidimensional dataset containing spatial and temporal dependence of the CPD and capacitance channels. We use multivariate statistical methods to reduce data volume and separate the complex multidimensional data sets into statistically significant components that can then be mapped onto separate physical mechanisms. Overall, G-Mode KPFM offers a new paradigm to study dynamic electric phenomena in electroactive interfaces as well as offer a promising approach to extend KPFM to solid-liquid interfaces.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

Catalyst design for small molecule activation of energy consequence

This project targets the conversion of ubiquitous small molecules (e.g. NO, CO, H 2 O) into viable precursors to synthetic fuels. Current state of the art catalyst design has not directly targeted transition metal complexes capable of mediating the multi-electron redox processes necessary to reduce the overpotential (energy loss) required achieve efficient activation of small molecule substrates. In this vein, a new strategy has been developed for the assembly of polynuclear architectures; allowing for the construction of tunable polymetallic centers that assemble easily within a pre-organized template (conferring stability, selectivity and tunability) that can effect multi-electron redox processes for reactions. Catalyst development has commenced with the following target design elements: (1) catalysts featuring multiple transition metal ions in the same reaction space to greatly expand accessible molecular redox capabilities; (2) catalysts are assembled in a polynucleating ligand framework that permits control over the cluster morphology as well as the local steric and electronic environment of the transition metal ions within the cluster. The high-tunability of the catalyst composition (metal content) and geometric flexibility has permitted a rigorous assessment of electronic-structure-to-function relationship to be developed, further guiding synthetic efforts to realize more potent catalysts. The numerous permutations possible showcase the high degree of generality to this approach with many synthetic handles to tune redox and reaction chemistry. Trinuclear complexes have been synthesized featuring homo- and hetero-trinuclear cores featuring a variety of first row transition metal ions (Cr→Ni). The molecular clusters have been shown to successfully mediate multi-electron redox processes in a cooperative fashion without requiring strong chemical reductants or oxidants. The reactive molecular complexes are being utilized to activate and breakdown the robust bonds within typical waste stream small molecules (e.g., greenhouse gases) and convert them into value-added commodity chemicals. Ultimately, the catalysts developed by this approach will be required to convert energy acquired via renewable resources (e.g., solar or wind) into synthetic fuels as an energy storage mechanism.

10 SYNTHETIC FUELS↗
DOE OSTI2025

High Performance, High Fidelity: A GPU‐Accelerated Doubly‐Periodic Configuration of the Simple Cloud‐Resolving E3SM Atmosphere Model Version 1 (DP‐SCREAMv1)

The development of the Simplified Cloud Resolving Energy Exascale Earth System Atmosphere Model (SCREAMv1) enables global storm-resolving simulations on modern GPU-based supercomputers. However, the high computational cost of SCREAMv1 limits its routine use for process-level studies, creating a need for efficient proxy configurations. This study addresses this gap by introducing DP-SCREAMv1, a doubly periodic cloud-resolving model designed to be fully consistent with SCREAMv1 while enabling high-resolution, long-duration simulations at significantly reduced computational expense by simulating a limited doubly periodic domain rather than the entire globe. Built on a C++/Kokkos architecture, DP-SCREAMv1 achieves exceptional performance scalability on GPU systems and includes a rich library of cases for validation and scientific exploration. In this work, we demonstrate short wall-clock times at SCREAMv1's default resolution and show that DP-SCREAMv1 supports routine execution of large-domain, high-resolution experiments that were previously challenging in practice. Furthermore, we show that DP-SCREAMv1 enables routine execution of “Giga-LES” style simulations and facilitates large-domain, high-resolution simulations that were recently considered burdensome to perform. These results document an efficient, fully consistent process-level configuration for SCREAMv1 (DP-SCREAMv1) and illustrate its use for long-duration and large-domain experiments at cloud-resolving to eddy-permitting resolution.

Environmental sciences↗