Results for “Modelling Capabilities” — Page 45

DOE OSTI2022

Overview of the MOSAiC expedition—Atmosphere

With the Arctic rapidly changing, the needs to observe, understand, and model the changes are essential. To support these needs, an annual cycle of observations of atmospheric properties, processes, and interactions were made while drifting with the sea ice across the central Arctic during the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition from October 2019 to September 2020. An international team designed and implemented the comprehensive program to document and characterize all aspects of the Arctic atmospheric system in unprecedented detail, using a variety of approaches, and across multiple scales. These measurements were coordinated with other observational teams to explore cross-cutting and coupled interactions with the Arctic Ocean, sea ice, and ecosystem through a variety of physical and biogeochemical processes. This overview outlines the breadth and complexity of the atmospheric research program, which was organized into 4 subgroups: atmospheric state, clouds and precipitation, gases and aerosols, and energy budgets. Atmospheric variability over the annual cycle revealed important influences from a persistent large-scale winter circulation pattern, leading to some storms with pressure and winds that were outside the interquartile range of past conditions suggested by long-term reanalysis. Similarly, the MOSAiC location was warmer and wetter in summer than the reanalysis climatology, in part due to its close proximity to the sea ice edge. The comprehensiveness of the observational program for characterizing and analyzing atmospheric phenomena is demonstrated via a winter case study examining air mass transitions and a summer case study examining vertical atmospheric evolution. Overall, the MOSAiC atmospheric program successfully met its objectives and was the most comprehensive atmospheric measurement program to date conducted over the Arctic sea ice. The obtained data will support a broad range of coupled-system scientific research and provide an important foundation for advancing multiscale modeling capabilities in the Arctic.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

WaterTAP 0.3 Release

The Water treatment Technoeconomic Assessment Platform (WaterTAP) is an open-source Python-based software package that supports the simulation and optimization of process-scale water treatment trains. WaterTAP seeks to provide the broader water research community with an integrated modeling capability to evaluate cost, energy, and environmental tradeoffs across water treatment options and identify high impact opportunities for innovation including novel materials, processes, and systems. An updated version of WaterTAP is released quarterly and each includes documentation and release notes.

IDAES↗

DOE OSTI2022

WaterTAP 0.4 Release

The Water treatment Technoeconomic Assessment Platform (WaterTAP) is an open-source Python-based software package that supports the simulation and optimization of process-scale water treatment trains. WaterTAP seeks to provide the broader water research community with an integrated modeling capability to evaluate cost, energy, and environmental tradeoffs across water treatment options and identify high impact opportunities for innovation including novel materials, processes, and systems. An updated version of WaterTAP is released quarterly and each includes documentation and release notes.

IDAES↗

DOE OSTI2022

WaterTAP 0.5 Release

The Water treatment Technoeconomic Assessment Platform (WaterTAP) is an open-source Python-based software package that supports the simulation and optimization of process-scale water treatment trains. WaterTAP seeks to provide the broader water research community with an integrated modeling capability to evaluate cost, energy, and environmental tradeoffs across water treatment options and identify high impact opportunities for innovation including novel materials, processes, and systems. An updated version of WaterTAP is released quarterly and each includes documentation and release notes.

IDAES↗

DOE OSTI2022

WaterTAP 0.6 Release

The Water treatment Technoeconomic Assessment Platform (WaterTAP) is an open-source Python-based software package that supports the simulation and optimization of process-scale water treatment trains. WaterTAP seeks to provide the broader water research community with an integrated modeling capability to evaluate cost, energy, and environmental tradeoffs across water treatment options and identify high impact opportunities for innovation including novel materials, processes, and systems. An updated version of WaterTAP is released quarterly and each includes documentation and release notes.

IDAES↗

DOE OSTI2022

WaterTAP 0.7 Release

The Water treatment Technoeconomic Assessment Platform (WaterTAP) is an open-source Python-based software package that supports the simulation and optimization of process-scale water treatment trains. WaterTAP seeks to provide the broader water research community with an integrated modeling capability to evaluate cost, energy, and environmental tradeoffs across water treatment options and identify high impact opportunities for innovation including novel materials, processes, and systems. An updated version of WaterTAP is released quarterly and each includes documentation and release notes.

IDAES↗

DOE OSTI2023

WaterTAP 0.8 Release

The Water treatment Technoeconomic Assessment Platform (WaterTAP) is an open-source Python-based software package that supports the simulation and optimization of process-scale water treatment trains. WaterTAP seeks to provide the broader water research community with an integrated modeling capability to evaluate cost, energy, and environmental tradeoffs across water treatment options and identify high impact opportunities for innovation including novel materials, processes, and systems. An updated version of WaterTAP is released quarterly and each includes documentation and release notes.

IDAES↗

DOE OSTI2023

WaterTAP 0.10 Release

The Water treatment Technoeconomic Assessment Platform (WaterTAP) is an open-source Python-based software package that supports the simulation and optimization of process-scale water treatment trains. WaterTAP seeks to provide the broader water research community with an integrated modeling capability to evaluate cost, energy, and environmental tradeoffs across water treatment options and identify high impact opportunities for innovation including novel materials, processes, and systems. An updated version of WaterTAP is released quarterly and each includes documentation and release notes.

IDAES↗

DOE OSTI2024

WaterTAP 0.11 Release

The Water treatment Technoeconomic Assessment Platform (WaterTAP) is an open-source Python-based software package that supports the simulation and optimization of process-scale water treatment trains. WaterTAP seeks to provide the broader water research community with an integrated modeling capability to evaluate cost, energy, and environmental tradeoffs across water treatment options and identify high impact opportunities for innovation including novel materials, processes, and systems. An updated version of WaterTAP is released quarterly and each includes documentation and release notes.

IDAES↗

DOE OSTI2024

WaterTAP 0.12 Release

The Water treatment Technoeconomic Assessment Platform (WaterTAP) is an open-source Python-based software package that supports the simulation and optimization of process-scale water treatment trains. WaterTAP seeks to provide the broader water research community with an integrated modeling capability to evaluate cost, energy, and environmental tradeoffs across water treatment options and identify high impact opportunities for innovation including novel materials, processes, and systems. An updated version of WaterTAP is released quarterly and each includes documentation and release notes.

IDAES↗

DOE OSTI2024

WaterTAP 1.0 Release

The Water treatment Technoeconomic Assessment Platform (WaterTAP) is an open-source Python-based software package that supports the simulation and optimization of process-scale water treatment trains. WaterTAP seeks to provide the broader water research community with an integrated modeling capability to evaluate cost, energy, and environmental tradeoffs across water treatment options and identify high impact opportunities for innovation including novel materials, processes, and systems. An updated version of WaterTAP is released quarterly and each includes documentation and release notes.

AS↗

DOE OSTI2023

Multifamily Building Stock Modeling: Cooperative Research and Development Final Report, CRADA Number CRD-17-00701

U.S. multifamily buildings house 35 million households, consuming 4 quads of source energy and spending $48 billion on utility bills every year. Almost all of these households live in urban areas, where cities are taking the lead on setting aggressive energy goals. Cities currently do not have the data and tools necessary to identify and target opportunities to save energy in their building stock. Building on the open-source, OpenStudio-based ResStock platform, this project will extend the publicly-available ResStock modeling capabilities to the multifamily sector, enabling Radiant Labs, and others, to partner with cities to market and strategically deploy cost-effective, energy efficiency (EE) upgrades directly to high-priority households. Radiant Labs has been successful in using ResStock's single-family capabilities to provide value to the City of Boulder, Colorado. However, lack of multifamily capabilities in ResStock is a roadblock for Radiant Labs working with New York City, San Francisco, Washington, D.C., and other cities that have expressed significant interest in working with them. In addition, other cities, companies, and utilities can use these open-source capabilities to grow their EE portfolios, thereby multiplying the impact of this project. This work also enables national-scale analysis of EE potential in multifamily buildings, which is of strong interest to a variety of stakeholders, including the U.S. Department of Energy (DOE) Office of Energy Policy and Systems Analysis (EPSA), DOE Weatherization Assistance Program (WAP), U.S. Department of Housing and Urban Development (HUD), and the Bonneville Power Administration (BPA).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2020

Thermionic emission and energy conversion

This project worked on development of a transformative heat-to-electricity conversion device based on thermionic energy conversion. The research provided a unique opportunity to transform the thermionics technology of the 1950-1990s by applying modern materials and 21st century wafer-scale fabrication methods. Research was conducted to further development of a thermionic energy converter based on modern microfabrication and new low work function anode materials that can surpass all other forms of direct heat-to-electricity conversion. This project completed the following goals: (1) Developed components for use in thermionic energy converters and electron emission devices, including electrode materials for electron emission and electron absorption with ultimate work functions below 5 eV; (2) Designed and fabricated thermionic devices for energy conversion and electron emission based on the components developed in (1); (3) Engineered test systems to characterize electronic, thermal, and mechanical properties of thermionic devices and electron emitters and their components, and test devices and components designed and fabricated in (1) and (2); and (4) Developed theoretical modeling capabilities in support of these technical objectives.

36 MATERIALS SCIENCE↗

DOE OSTI2020

U.S. Domestic Small Modular Reactor Security by Design

U.S. nuclear power facilities face increasing challenges in meeting evolving security requirements caused by evolving and expanding threats while keeping cost reasonable to make nuclear energy competitive. The addition of security features after a facility has been designed and without attention to optimization (the past approach) can lead to cost overruns. Incorporating security in the design process can provide robust, cost effective, and sufficient physical protection systems. The purpose of this work is to develop a framework for the integration of security into the design phase of Small Modular Reactors (SMRs) and the use of modeling and simulation tools to optimize the design of physical protection systems. This effort will intend to integrate security into the design phase of a model SMR that meets current NRC physical protection requirements and provide advanced solutions to improve physical protection and decrease costs. A suite of tools, including SCRIBE3D, PATHTRACE and Blender were used to model a hypothetical generic domestic SMR facility. Physical protection elements such as sensors, cameras, portal monitors, barriers, and guard forces were added to the model based on best practices for physical protection systems. One outsider sabotage scenario was examined with 4-8 adversaries to determine security metrics. This work will influence physical protection system designs and facility designs for U.S. domestic SMRs. The purpose of this project is to demonstrate how a series of experimental and modeling capabilities across the Department of Energy Complex can impact the design of U.S. domestic SMRs and the complete Safeguards and Security by Design (SSBD) for SMRs.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2020

Physical Security Model Development of an Electrochemical Facility

Nuclear facilities in the U.S. and around the world face increasing challenges in meeting evolving physical security requirements while keeping costs reasonable. The addition of security features after a facility has been designed and without attention to optimization (the approach of the past) can easily lead to cost overruns. Instead, security should be considered at the beginning of the design process in order to provide robust, yet efficient physical security designs. The purpose of this work is to demonstrate how modeling and simulation can be used to optimize the design of physical protection systems. A suite of tools, including Scribe3D and Blender, were used to model a generic electrochemical reprocessing facility. Physical protection elements such as sensors, portal monitors, barriers, and guard forces were added to the model based on best practices for physical security. Two theft scenarios (an outsider attack and insider diversion) as well as a sabotage scenario were examined in order to optimize the security design. Security metrics are presented. This work fits into a larger Virtual Facility Distributed Test Bed 2020 Milestone in the Material Protection, Accounting, and Control Technologies (MPACT) program through the Department of Energy (DOE). The purpose of the milestone is to demonstrate how a series of experimental and modeling capabilities across the DOE complex provide the capabilities to demonstrate complete Safeguards and Security by Design (SSBD) for nuclear facilities.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2020

A Quantum Analog Coprocessor for Correlated Electron Systems Simulation

Analog quantum simulation is an approach for studying physical systems that might otherwise be computationally intractable to simulate on classical high-performance computing (HPC) systems. The key idea behind analog quantum simulation is the realization of a physical system with a low-energy effective Hamiltonian that is the same as the low-energy effective Hamiltonian of some target system to be studied. Purpose-built nanoelectronic devices are a natural candidate for implementing the analog quantum simulation of strongly correlated materials that are otherwise challenging to study using classical HPC systems. However, realizing devices that are sufficiently large to study the properties of a non-trivial material system (e.g., those described by a Fermi-Hubbard model) will eventually require the fabrication, control, and measurement of at least 0(10) quantum dots, or other engineered quantum impurities. As a step toward large-scale analog or digital quantum simulation platforms based on nanoelectronic devices, we propose a new approach to analog quantum simulation that makes use of the large Hilbert space dimension of the electronic baths that are used to adjust the occupancy of one or a few engineered quantum impurities. This approach to analog quantum simulation allows us to study a wide array of quantum impurity models. We can further augment the computational power of such an approach by combining it with a classical computer to facilitate dynamical mean-field theory (DMFT) calculations. DMFT replaces the solution of a lattice impurity problem with the solution of a family of localized impurity problems with bath couplings that are adjusted to satisfy a self-consistency condition between the two models. In DMFT, the computationally challenging task is the high-accuracy solution of an instance of a quantum impurity model that is determined self-consistently in coordination with a mean-field calculation. We propose using one or a few engineered quantum impurities with adjustable couplings to baths to realize an analog quantum coprocessor that effects the solution of such a model through measurements of a physical quantum impurity, operating in coordination with a classical computer to achieve a self-consistent solution to a DMFT calculation. We focus on implementation details relevant to a number of technologies for which Sandia has design, fabrication, and measurement expertise. The primary technical advances outlined in this report concern the development of a supporting modeling capability. As with all analog quantum simulation platforms, the successful design and operation of individual devices depends critically on one's ability to predict the effective low-energy Hamiltonian governing its dynamics Our project has made this possible and lays the foundation for future experimental implementations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Combined Environments: Driving multiple loads on Z

Pulsed power drivers such as the Z generator of Sandia National Laboratories typically deliver high current (>20MA) to single experiments. This project is intended to develop and assess ways to simultaneously drive multiple targets on a single pulsed power driver (specifically a neutron and an x-ray producing target driven in a single experiment). The combined x-ray/neutron environment produced will then be used to investigate potential synergistic effects in integrated circuits. A pre-requisite for being able to design and study multiple targets on Z is first adapting simulation tools to be able to model them effectively. This will enable us to assess the tradeoffs between the different ways multiple targets can be combined, and to better understand how existing and future pulsed power machines can be used to generate combined testing environments. This report is limited to documenting the initial development of a parallel load modeling capability that is presently being applied to design experiments to produce combined neutron/x-ray environments on Z.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2021

Nalu SpinnerLidar Model [Slides]

Develop, verify, and document model capabilities sufficient for comparing field wake measurements from SWiFT with synthetic lidar wake measurements from Nalu-Wind (hereafter referred to as `Nalu').

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗