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DOE OSTI2017

Integration of Titan supercomputer at OLCF with ATLAS Production System

The PanDA (Production and Distributed Analysis) workload management system was developed to meet the scale and complexity of distributed computing for the ATLAS experiment. PanDA managed resources are distributed worldwide, on hundreds of computing sites, with thousands of physicists accessing hundreds of Petabytes of data and the rate of data processing already exceeds Exabyte per year. While PanDA currently uses more than 200,000 cores at well over 100 Grid sites, future LHC data taking runs will require more resources than Grid computing can possibly provide. Additional computing and storage resources are required. Therefore ATLAS is engaged in an ambitious program to expand the current computing model to include additional resources such as the opportunistic use of supercomputers. In this paper we will describe a project aimed at integration of ATLAS Production System with Titan supercomputer at Oak Ridge Leadership Computing Facility (OLCF). Current approach utilizes modified PanDA Pilot framework for job submission to Titan's batch queues and local data management, with lightweight MPI wrappers to run single node workloads in parallel on Titan's multi-core worker nodes. It provides for running of standard ATLAS production jobs on unused resources (backfill) on Titan. The system already allowed ATLAS to collect on Titan millions of core-hours per month, execute hundreds of thousands jobs, while simultaneously improving Titans utilization efficiency. We will discuss the details of the implementation, current experience with running the system, as well as future plans aimed at improvements in scalability and efficiency.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

HEP-FCE Working Group on Libraries and Tools

The High-Energy Physics Forum for Computational Excellence (HEP-FCE) was formed by the Department of Energy as a follow-up to a recent report from the Topical Panel on Computing and the associated P5 recommendation. It is a pilot project distributed across the DOE Labs. During this initial incubation period the Forum is to develop a plan for a robust, long-term organization structure and a functioning web presence for forum activities and outreach, and a study of hardware and software needs across the HEP program. In the following sections we give this working group’s “vision” for aspects and qualities we wish to see in a future HEP-FCE. We then give a prioritized list of technical activities with suggested scoping and deliverables that can be expected to provide cross-experiment benefits. The remaining bulk of the report gives a technical survey of some specific “areas of opportunity” for cross-experiment benefit in the realm of software libs/tools. This survey serves as support for the vision and prioritized list. For each area we describe the ways that cross-experiment benefit is achieved today, as well as describe known failings or pitfalls where such benefit has failed to be achieved and which should be avoided in the future. For both cases, we try to give concrete examples. Each area then ends with an examination of what opportunities exist for improvements in that particular area.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2017

Integration of Titan supercomputer at OLCF with ATLAS Production System

Megino, F. Barreiro↗

DOE OSTI2023

Scaling Innovative Approaches Within U.S. Department of Energy's Weatherization Assistance Program

In this interactive workshop, attendees will hear from Grantees and Subgrantees of the U.S. Department of Energy's Weatherization Assistance Program (WAP), that have implemented innovative methods, materials and approaches in their weatherization program. Attendees will have the opportunity to exchange ideas and share their own stories and perspectives in breakout groups. Attendees will also learn how their state and agency may be able to work with the National Renewable Energy Lab and Oak Ridge National Lab on WAP-funded pilot projects to scale innovative methods throughout the WAP network.

ENERGY PLANNING, POLICY, AND ECONOMY,POWER TRANSMI↗

DOE OSTI2012

The Direct Path To WIPP - 12471

Sandia National Laboratories/New Mexico (SNL/NM), designated as a small quantity site (SQS) by the National TRU Program (NTP), generated contact-handled (CH) and remote-handled (RH) transuranic (TRU) waste primarily from the decontamination and clean-out of glove boxes at the Hot Cell Facility (HCF) at Technical Area (TA) V. All of the waste required repackaging, with the CH TRU waste being repackaged from late 2007 through 2011. Three shipments of CH were completed in October 2011, which de-inventoried SNL/NM's legacy TRU waste. In FY11, RH TRU waste was repackaged at the Auxiliary Hot Cell Facility (AHCF) located in TAV with the support of the Central Characterization Project (CCP). The waste was originally packaged in SNL/NM fabricated casks, cement or lead-lined 55-gallon drums, or 30-gallon drums. The AHCF is a small hot cell, with access only through a roof port which presented challenges for inserting and removing waste from the hot cell. The CCP provided visual examination operators (VEOs) to observe and document each waste item repackaged, removal of prohibited items, and radiological sampling. Dose-to-Curie measurements were calculated by CCP after a radiological report was prepared using scaling factors determined by the analysis of swipe samples. Finally, headspace gas samples were taken and sent to the Advanced Mixed Waste Treatment Project (AMWTP) for analysis. Despite the challenges, the RH waste is on track to be shipped to WIPP in early FY12. The processes used and procedures developed to conduct the repackaging operations, the issues identified and mitigated were challenging but the cooperation between SNL/NM and the Central Characterization Program (CCP) enabled SNL/NM to complete the repackaging and support the characterization and shipment. An inventory list, identification of the campaigns, discussion of the challenges and mitigations, and the final loading of the RH 72-B casks at TA-V for direct shipment to the Waste Isolation Pilot Plant (WIPP) will be discussed. Lessons learned from the RH campaigns are: - Some containers that were originally identified as HC-3 have been re-evaluated and became < HC-3 due to the conservative estimates made by the original generators - Operators at the AHCF were not accustomed to the detail required by the VE operators. However, they worked well together and the repackaging was completed ahead of schedule. - The AK was not always accurate as was demonstrated by the solid waste found in the drum during the first visit by EPA. That waste has since been determined to be low-level. - Two drums originally thought to be RH turned out to be CH and arrangement for RTR had to be made quickly. - Six of the original RH repacked drums became low level. - Lessons learned from the CH campaigns were helpful in avoiding many issues. The RH repackaging effort has been a success due to the expertise of the AHCF operators, supervisor, and manager, the conscientious attention to detail of the CCP VE operators, the experience of the CCP DTC and headspace gas sampling staff, and the guidance and support from CCP and CBFO. Sometimes schedules had to be adjusted, processes updated, and issues discussed, but the communication between CCP and SNL/NM was good. SNL/NM hopes to have the legacy RH TRU waste shipped off-site by early 2012. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2018

Oxidizer Testing on Alternative Absorbents for Los Alamos National Laboratory - 18656

In the summer of 2016, during glovebox operations in TA-55, cheesecloth, a cellulosic material, was used to clean up a small spill of 9.8 molar nitric acid (oxidizer). Because cellulosic materials and oxidizers are incompatible, this prompted a chemical compatibility evaluation of the waste in TA-55 to determine if this waste was Resource Conservation and Recovery Act (RCRA) ignitable waste (D001) or RCRA reactive waste (D003). After testing and consulting with the Carlsbad Field Office in Carlsbad (CBFO), Los Alamos National Laboratory (LANL) NPI-7 decided to look for alternative absorbents to use in the gloveboxes that would not create an incompatibility issue with an oxidizer. While small spills are infrequent, they do happen and LANL wanted to be proactive and search for a material that would be compatible with an oxidizer. In December 2016, LANL NPI-7 requested LANL-Carlsbad's (LANL-CO) Difficult Waste Team to perform compatibility testing on potential alternative wipes for disposal at the Waste Isolation Pilot Plant (WIPP). The purpose for testing was to meet the Operational Experience Level 3 (OE-3) requirements that states 'any proposed use of organic absorbents or engineered absorbents in combination with potentially oxidizing TRU waste, wet or dry, should be evaluated and approved by the National TRU Program, Carlsbad Field Office' [1]. LANL NPI-7 requested LANL-CO to perform these tests because they were the group that performed all of the oxidizer testing for CBFO for the Basis of Knowledge (BoK) [2]. LANL NPI-7 chose nine fabrics and KMI Zeolite to be tested. The testing in Carlsbad took approximately 2 months to prepare the procedures, test plans and for the procurement of items. The burn rate testing was done in accordance with the requirements discussed in the BoK and approved by the LANL-CO Difficult Waste Team. Each absorbent was tested for 1) capacity limiting tests, 2) verifying the non-oxidizer threshold concentration of the oxidizer and 3) establishing the non-oxidizer concentration based on the experimental results. The effect of rinsing cheesecloth samples that have absorbed an oxidizer was also tested [3]. The burn rate testing provided three potential alternative absorbents (Spilfyter Hazmat Sorbent SM Pads Premium, Kimtech Pure W4 Wipers and Polybenzimidazole (PBI) Staple fiber) that produced a non-oxidizer result as defined by the BoK. Two wipes Spilfyter Hazmat Sorbent SM Pads Premium and Kimtech Pure W4 Wipers were able to absorb the highest concentration of potassium nitrite and still produce a non-oxidizer. TA-55 has used Spilfyter Hazmat Sorbent SM Pads Premium for a number of years in several of the processes and has ordered Kimtech Pure W4 Wipers for use in the facility. PBI fabric passed at 25 wt. % solution. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

Evaluation of Concentrated Piperazine for CO 2 Capture from Coal-Fired Flue Gas (Final Report, REV0)

Concentrated piperazine (PZ) is a novel solvent being developed by the University of Texas at Austin (UT) for CO 2 capture from coal-fired power plants. The high thermal stability of PZ permits solvent regeneration at higher temperature (150 °C) and pressure, reducing compression capital and operating costs. The purpose of Cooperative Agreement DE-FE0005654, Evaluation of Concentrated Piperazine for CO 2 Capture from Coal-Fired Flue Gas , was to gain operational experience using PZ solvent to absorb CO 2 and explore novel, high-temperature processes for solvent regeneration. The pilot-scale test campaigns funded under this project have resulted in the continual improvement in the heat duty of the regeneration systems and solvent and equipment optimization. This document summarizes the results from the Phase 1 (2011, 2013 and 2015) and Phase 2 (2018) test campaigns. In Phase 1, the campaign was conducted on synthetic flue gas at the University of Texas’ Separations Research Program (SRP) facility to investigate CO 2 capture with 5 and 8 molal (5$m$ and 8$m$) PZ and two-stage flash (2SF) and advanced flash stripper (AFS) regeneration designs. Phase 1 testing also investigated techniques for measuring amine aerosol that can be generated during operation, and the effect of absorber operating conditions and sulfur containing compounds in the flue gas on aerosol generation. This testing showed that the AFS represents an optimized amine regeneration system with superior energy performance and simple operability over the 2SF or a simple stripper (SS), that 5$m$ PZ provides an economic and operability advantage over 8$m$ PZ, and that phase doppler interferometry (PDI) can provide useful particle size information on amine aerosol. In Phase 2, the campaign was conducted on coal-fired flue gas at the National Carbon Capture Center (NCCC) to investigate CO 2 capture with 5$m$ PZ and the AFS. The PZ solvent was also used with an existing SS at the NCCC to provide comparison with the AFS performance. Additionally, the campaign investigated the effect of flue gas SO 3 on amine aerosol from the CO 2 absorber. The NCCC pilot plant testing demonstrated the robustness of the PZ solvent and the high energy performance of the AFS provided significant improvements in energy performance over the conventional SS for PZ and other solvents, and approached the DOE’s economic targets for second generation carbon capture technologies. Extended testing allowed the project team to demonstrate reliable long-term operation of this novel regeneration technology and solvent combination. EPRI, Luminant, B&W, LG&E, Chevron, Southern Company, and UT are project co-funders. UT and Trimeric were project team members. URS Group was the prime contractor.

20 FOSSIL-FUELED POWER PLANTS↗

DOE OSTI2014

Laboratory Evaporation Testing Of Hanford Waste Treatment Plant Low Activity Waste Off-Gas Condensate Simulant

The Hanford Waste Treatment and Immobilization Plant (WTP) Low Activity Waste (LAW) vitrification facility will generate an aqueous condensate recycle stream, LAW Off-Gas Condensate, from the off-gas system. The baseline plan for disposition of this stream is to send it to the WTP Pretreatment Facility, where it will be blended with LAW, concentrated by evaporation and recycled to the LAW vitrification facility again. Alternate disposition of this stream would eliminate recycling of problematic components, and would enable de-coupled operation of the LAW melter and the Pretreatment Facilities. Eliminating this stream from recycling within WTP would also decrease the LAW vitrification mission duration and quantity of canistered glass waste forms. This LAW Off-Gas Condensate stream contains components that are volatile at melter temperatures and are problematic for the glass waste form. Because this stream recycles within WTP, these components accumulate in the Condensate stream, exacerbating their impact on the number of LAW glass containers that must be produced. Approximately 32% of the sodium in Supplemental LAW comes from glass formers used to make the extra glass to dilute the halides to be within acceptable concentration ranges in the LAW glass. Diverting the stream reduces the halides in the recycled Condensate and is a key outcome of this work. Additionally, under possible scenarios where the LAW vitrification facility commences operation prior to the WTP Pretreatment facility, identifying a disposition path becomes vitally important. This task examines the impact of potential future disposition of this stream in the Hanford tank farms, and investigates auxiliary evaporation to enable another disposition path. Unless an auxiliary evaporator is used, returning the stream to the tank farms would require evaporation in the 242-A evaporator. This stream is expected to be unusual because it will be very high in corrosive species that are volatile in the melter (chloride, fluoride, sulfur), will have high ammonia, and will contain carryover particulates of glass-former chemicals. These species have potential to cause corrosion of tanks and equipment, precipitation of solids, release of ammonia gas vapors, and scale in the tank farm evaporator. Routing this stream to the tank farms does not permanently divert it from recycling into the WTP, only temporarily stores it prior to reprocessing. Testing is normally performed to demonstrate acceptable conditions and limits for these compounds in wastes sent to the tank farms. The primary parameter of this phase of the test program was measuring the formation of solids during evaporation in order to assess the compatibility of the stream with the evaporator and transfer and storage equipment. The origin of this LAW Off-Gas Condensate stream will be the liquids from the Submerged Bed Scrubber (SBS) and the Wet Electrostatic Precipitator (WESP) from the LAW facility melter offgas system. The stream is expected to be a dilute salt solution with near neutral pH, and will likely contain some insoluble solids from melter carryover. The soluble components are expected to be mostly sodium and ammonium salts of nitrate, chloride, and fluoride. This stream has not been generated yet, and, thus, the composition will not be available until the WTP begins operation, but a simulant has been produced based on models, calculations, and comparison with pilot-scale tests. This report discusses results of evaporation testing of the simulant. Two conditions were tested, one with the simulant at near neutral pH, and a second at alkaline pH. The neutral pH test is comparable to the conditions in the Hanford Effluent Treatment Facility (ETF) evaporator, although that evaporator operates at near atmospheric pressure and tests were done under vacuum. For the alkaline test, the target pH was based on the tank farm corrosion control program requirements, and the test protocol and equipment was comparable to that used for routine evaluation of feed compatibility studies for the 242-A evaporator. One of the radionuclides that is volatile in the melter and expected to be in high concentration in this LAW Off-Gas Condensate stream is Technetium-99 (99Tc). Technetium will not be removed from the aqueous waste in the Hanford WTP, and will primarily end up immobilized in the LAW glass by repeated recycle of the off-gas condensate into the LAW melter. Other radionuclides that are also expected to be in appreciable concentrations in the LAW Off-Gas Condensate are 129I, 90Sr, 137Cs, and 241Am. The concentrations of these radionuclides in this stream will be much lower than in the LAW, but they will still be higher than limits for some of the other disposition pathways currently available. At this time, these scoping tests did not evaluate the partitioning of the radionuclides to the evaporator condensate, since ample data are available separately from other experience in the DOE complex. Results from the evaporation testing show that the neutral SBS simulant first forms turbidity at ~7.5X concentration, while the alkaline-adjusted simulant became turbid at ~3X concentration. The major solid in both cases was Kogarkoite, Na3FSO4. Sodium and lithium fluorides were also detected. Minimal solids were formed in the evaporator bottoms until a substantial fraction of liquid was removed, indicating that evaporation could minimize storage volume issues. Achievable concentration factors without significant insoluble solids were 17X at alkaline pH, and 23X at neutral pH. In both runs, significant ammonia carried over and was captured in the condenser with the water condensate. Results also indicate that with low insoluble solids formation in the initial testing at neutral pH, the use of Reverse Osmosis is a potential alternate method for concentrating the solution, although an evaluation is needed to identify equipment that can tolerate insoluble solids. Most of the ammonia remains in the evaporator bottoms during the neutral pH evaporation, but partitions to the condensate during alkaline evaporation. Disposition of both streams needs to consider the management of ammonia vapor and its release. Since this is an initial phase of testing, additional tasks related to evaporation methods are expected to be identified for development. These tasks likely include evaluation and testing of composition variability testing and evaluations, corrosion and erosion testing, slurry storage and immobilization investigations, and evaporator condensate disposition.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2015

Communicating with future generations - Major obstacles to overcome - 15009

The Department of Energy (DOE) Carlsbad Field Office (CBFO) is responsible for managing activities related to the disposal of transuranic (TRU) and TRU-mixed waste in the geologic repository at the Waste Isolation Pilot Plant (WIPP), 2150 feet (655 meters) below the land surface, at the WIPP, near Carlsbad, New Mexico. The Environmental Protection Agency (EPA) regulations Title 40 Code of Federal Regulations Part 191.14(c) [1] and Title 40 Code of Federal Regulations Part 194.43 [2] require a Passive Institutional Controls program be developed for the WIPP. The primary purpose of the Passive Institutional Controls program is to indicate the location of the repository and the risk it presents to an intruder, thus reducing the likelihood of inadvertent human intrusion into the repository. A plan was put into place during the 1990's with records management and storage, awareness triggers, permanent marker design concepts, including languages, graphics and engineered drawings, plus testing schedules for materials and structures. This work included the thoughts of expert panels and individuals. The plan held up under peer review and met the regulatory requirements. But will it really work? Will future generations a thousand years, two thousand years, or seven thousand years from now really be able to decipher and understand the message? This is the challenge international constructors, operators, and regulators of repositories for the disposal of any hazardous materials must face. It is important to explore the history of language, both written words and graphics; and what we can learn from the past to assist us in communicating with the future. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

Integration Of PanDA Workload Management System With Supercomputers for ATLAS and Data Intensive Science

The.LHC, operating at CERN, is leading Big Data driven scientific explorations. Experiments at the LHC explore the fundamental nature of matter and the basic forces that shape our universe. ATLAS, one of the largest collaborations ever assembled in the sciences, is at the forefront of research at the LHC. To address an unprecedented multi-petabyte data processing challenge, the ATLAS experiment is relying on a heterogeneous distributed computational infrastructure. The ATLAS experiment uses PanDA (Production and Data Analysis) Workload Management System for managing the workflow for all data processing on over 150 data centers. Through PanDA, ATLAS physicists see a single computing facility that enables rapid scientific breakthroughs for the experiment, even though the data centers are physically scattered all over the world. While PanDA currently uses more than 250,000 cores with a peak performance of 0.3 petaFLOPS, LHC data taking runs require more resources than grid can possibly provide. To alleviate these challenges, LHC experiments are engaged in an ambitious program to expand the current computing model to include additional resources such as the opportunistic use of supercomputers. We will describe a project aimed at integration of PanDA WMS with supercomputers in United States, in particular with Titan supercomputer at Oak Ridge Leadership Computing Facility. Current approach utilizes modified PanDA pilot framework for job submission to the supercomputers batch queues and local data management, with light-weight MPI wrappers to run single threaded workloads in parallel on LCFs multi-core worker nodes. This implementation was tested with a variety of Monte-Carlo workloads on several supercomputing platforms for ALICE and ATLAS experiments and it is in full pro duction for the ATLAS since September 2015. We will present our current accomplishments with running PanDA at supercomputers and demonstrate our ability to use PanDA as a portal independent of the computing facilities infrastructure for High Energy and Nuclear Physics as well as other data-intensive science applications, such as bioinformatics and astro-particle physics.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

New Generation Flask Sampling Technology Final Report

Scientists are turning their focus to the Arctic, site of one of the strongest climate change signals. A new generation of technologies is required to function within that harsh environment, chart evolution of its trace gases and provide new kinds of information for models of the atmosphere. Our response to the solicitation tracks how global atmospheric monitoring was launched more than a half century ago; namely, acquisition of discrete samples of air by flask and subsequent analysis in the laboratory. AOS is proposing to develop a new generation of flask sampling technology. It will enable the new Arctic programs to begin with objective high density sampling of the atmosphere by UAS. The Phase I program will build the prototype flask technology and show that it can acquire and store mol fractions of CH4 and CO2 and value of δ13C with good fidelity. A CAD model will be produced for the entire platform including a package with 100 flasks and the airframe with auto-pilot, electronic propulsion and ground-to-air communications. A mobile flask analysis station will be prototyped in Phase I and designed to final form in Phase II. It expends very small sample per analysis and will interface directly to the flask package integrated permanently into the UAS fuselage. Commercial Applications and Other Benefits: • The New Generation Flask Sampling Technology able to provide a hundred or more samples of air per UAS mission. • A mobile analysis station expending far less sample than the existing ones and small enough to be stationed at the remote sites of Arctic operations. • A new form of validation for continuous trace gas observations from all platforms including the small UAS. • Further demonstration to potential customers of the AOS capabilities to invent, build, deploy and exploit entire platforms for observations of Earth’s atmosphere and ocean. Key Words: Flask Sampler, Mobile Analysis Station, Trace Gas, CO2, CH4, δC13, UAS, Baseline Airborne Observatory, Arctic, Climate Change. Summary for Members of Congress: The air, land and sea of the Arctic combine to produce a large climate change signal. AOS is proposing to develop unmanned airborne technologies able to begin prompt, objective observations of the signal’s atmospheric component.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2013

Hanford Tank Waste to WIPP - Maximizing the Value of our National Repository Asset

Preplanning scope for the Hanford tank transuranic (TRU) waste project was authorized in 2013 by the Department of Energy (DOE) Office of River Protection (ORP) after a project standby period of eight years. Significant changes in DOE orders, Hanford contracts, and requirements at the Waste Isolation Pilot Plant (WIPP) have occurred during this time period, in addition to newly implemented regulatory permitting, re-evaluated waste management strategies, and new commercial applications. Preplanning has identified the following key approaches for reactivating the project: qualification of tank inventory designations and completion of all environmental regulatory permitting; identifying program options to accelerate retrieval of key leaking tank T-111; planning fully compliant implementation of DOE Order 413.3B, and DOE Standard 1189 for potential on-site treatment; and re-evaluation of commercial retrieval and treatment technologies for better strategic bundling of permanent waste disposal options.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2012

Implementing Stakeholders' Access to Expertise: Experimenting on Nuclear Installations' Safety Cases - 12160

In 2009 and 2010, the Institute for Nuclear Safety and Radiation Protection (IRSN) led two pilot actions dealing with nuclear installations' safety cases. One concerned the periodical review of the French 900 MWe nuclear reactors, the other concerned the decommissioning of a workshop located on the site of Areva's La Hague fuel-reprocessing plant site in Northwestern France. The purpose of both these programs was to test ways for IRSN and a small number of stakeholders (Non-Governmental Organizations (NGOs) members, local elected officials, etc.) to engage in technical discussions. The discussions were intended to enable the stakeholders to review future applications and provide valuable input. The test cases confirmed there is a definite challenge in successfully opening a meaningful dialogue to discuss technical issues, in particular the fact that most expertise reports were not public and the conflict that exists between the contrary demands of transparency and confidentiality of information. The test case also confirmed there are ways to further improvement of stakeholders' involvement. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

Description of FY25 Theory and Simulation Performance Target: Development of an integrated modeling framework for fusion reactor design and assessment

The urgency to deliver fusion power is growing now more than ever, with increasing pressure for both public programs and private companies to meet milestones timelines and overcome significant remaining technical challenges to ensure growth of a nascent fusion industry in time to meet rapidly growing clean energy demands. With incredible advancements in computation and years of investment in fusion model development and validation, integrated modeling is poised to fill a key role in accelerating the timeline to a fusion pilot plant (FPP). Future fusion pilot plants will operate in regimes far beyond current experience, and device design will rely on physics-based prediction and extrapolation. Many concepts will also rely on simulation to assess safety (shielding, tritium management, materials activation and lifetimes), economics and scalability before the decision to build. Importantly, integrated simulation can be used to reveal and solve the complexities of system integration that may otherwise not be apparent in physical components or models developed in isolation. New experimental test facilities that produce relevant conditions to validate and resolve key technical challenges for various subsystems (materials, blankets, fuel cycle, etc.) have been repeatedly called for by the fusion community but are not yet realized. Integrated modeling has an important role in identifying realistic load conditions (thermal, electromagnetic, plasma, neutron and photon loads, etc.) and defining the components and experiments for these test facilities in order to ensure meaningful validation that sufficiently reduces modeling uncertainties and technical risk for the full integrated reactor. The Fusion REactor Design and Assessment (FREDA) SciDAC project is building a component-based integrated modeling framework & data structure to enable self-consistent, multi-fidelity, iterative optimization workflows for the fusion reactor design process. FREDA aims to shorten the time to viable designs by providing a set of flexible workflows to support the various stages of the design process using an integrated model hierarchy, ranging from the simple analytic descriptions to the highest fidelity, theory-based plasma and engineering modeling developed by the fusion and fission communities. These tools are expected to be needed for timely support of FPP design in the milestone program and in the FIRE collaboratives. The plasma simulation backbone of FREDA is IPS-FASTRAN with newly developed coupled Core-Edge Pedestal-SOL (CESOL) workflows, which is being extended to the far-SOL region up to the plasma facing components. FREDA incorporates the FERMI engineering modeling suite and will enable self-consistent evaluation of the thermal shields, limiters, blanket, magnets, and other surrounding structures with predictions of temperatures, erosion, dpa, activation, tritium generation and transport, creep, corrosion, material degradation, etc. Parametric generation of 3D CAD enables rapid iteration of component geometry in response to plasma and loading specifications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Is Clean Hydrogen Production a Good Fit for Questa? Intermediate Feasibility Study Results

NREL conducted a feasibility study for a clean hydrogen production facility that would be located in Questa, New Mexico. This slide deck presents the history of the coalition of stakeholders that received NREL technical assistance through the Department of Energy's Communities Leading Energy Action Program. It describes how hydrogen is generated and its end uses. It describes two conceptual applications explored in the feasibility analysis, a grid-tied power generation and long-term storage application and a heavy-duty vehicle fueling application. The presentation details the configuration of these to applications in the Questa pilot facility, including system components, required inputs (water, electricity, and land for pv generation), and outputs in kilograms of hydrogen, megawatt hours of power delivered, and hours of vehicle hours of operation. The presentation addresses key concerns raised by groups engaged through a public outreach process, including safety, health, and environmental issues; water use; visual impacts; and costs and alternatives.

heavy-duty vehicle fueling↗

DOE OSTI2014

HPC4Energy Final Report : GE Energy

Power System planning tools are being used today to simulate systems that are far larger and more complex than just a few years ago. Advances in renewable technologies and more pervasive control technology are driving planning engineers to analyze an increasing number of scenarios and system models with much more detailed network representations. Although the speed of individual CPU’s has increased roughly according to Moore’s Law, the requirements for advanced models, increased system sizes, and larger sensitivities have outstripped CPU performance. This computational dilemma has reached a critical point and the industry needs to develop the technology to accurately model the power system of the future. The hpc4energy incubator program provided a unique opportunity to leverage the HPC resources available to LLNL and the power systems domain expertise of GE Energy to enhance the GE Concorda PSLF software. Well over 500 users worldwide, including all of the major California electric utilities, rely on Concorda PSLF software for their power flow and dynamics. This pilot project demonstrated that the GE Concorda PSLF software can perform contingency analysis in a massively parallel environment to significantly reduce the time to results. An analysis with 4,127 contingencies that would take 24 days on a single core was reduced to 24 minutes when run on 4,217 cores. A secondary goal of this project was to develop and test modeling techniques that will expand the computational capability of PSLF to efficiently deal with systems sizes greater than 150,000 buses. Toward this goal the matrix reordering implementation time was sped up 9.5 times by optimizing the code and introducing threading.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2016

Progress in Monitoring Strategies for Risk Reduction in Geologic CO2 Storage

Abstract: This geophysical monitoring review is intended to lay the ground work for an approach to integrating monitoring strategies with risk assessment and risk reduction and to summarize work conducted by U.S. Department of Energy's National Risk Assessment Partnership (NRAP) participants that addresses key questions related to monitoring strategies. Commercial, demonstration and pilot geologic CO2 storage (GCS) projects have provided a wealth of practical experience in monitoring technologies. In this manuscript we review a few key projects, specific geophysical methods, well-based methods, geophysical workflows and some suggested best practices. These practices are often driven and governed by regulatory requirements (e.g. U.S. Environmental Protection Agency [US-EPA] Class VI underground injection regulation) and the need for effective reservoir management of pressures and volumes as well as the site-specific risks to containment, plume migration, and underground sources of drinking water. Reducing uncertainty in monitoring is likely to lead to reducing uncertainty in risk. One of our conclusions is the need for field experiment testing that is risk-driven. It is notable that GCS pilot projects have been designed for safe storage, and to date they have been successful. Technical challenges at all geologic CO2 storage sites include assuring injectivity and capacity predictions are reliable, the fate and subsurface topology of the CO2 plume is acceptable, regulatory permitting and compliance are accomplished in a timely manner, needed business assurances are supported by quantitative technical data, and the storage operation is acceptable to stakeholders. There is risk associated with all of these challenges necessitating a monitoring program utilizing both direct and indirect monitoring methods. Because of the direct association of risk and monitoring in GCS, geophysical monitoring is viewed as a key component in approaching risk assessment. To address monitoring in the context of risk assessment the U.S. Department of Energy's National Risk Assessment Partnership (NRAP) has undertaken a review of work related to monitoring storage sites. In this review we provide a framework for monitoring and then present some specific monitoring tools that may be useful for regulatory compliance, as well as technologies that are applicable to leakage detection.

Harbert, William↗

DOE OSTI2013

Army Net Zero. Water Balance and Roadmap Programmatic Summary

In 2011, the Department of the Army created the net zero initiative to advance the sustainability of the Army by managing natural resources with the goal of establishing net zero installations. The Net Zero concept is founded upon the idea of consuming natural resources responsibly based upon knowledge of long-term resource availability, creating a sustainable environment to support the installation’s long-term mission. The Army is pursuing net zero programs in energy, water, and waste. To kick off the net zero initiative, the Army selected installations to demonstrate the concept of net zero energy, water, and waste. This document is an overview of assessments performed at the eight net zero water installations. Each assessment included a water balance and a roadmap intended to provide pilot installations with a strategic approach to achieve net zero goals.

54 ENVIRONMENTAL SCIENCES↗