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DOE OSTI2015

Xyce Parallel Electronic Simulator Users Guide Version 6.4

This manual describes the use of the Xyce Parallel Electronic Simulator. Xyce has been de- signed as a SPICE-compatible, high-performance analog circuit simulator, and has been written to support the simulation needs of the Sandia National Laboratories electrical designers. This development has focused on improving capability over the current state-of-the-art in the following areas: Capability to solve extremely large circuit problems by supporting large-scale parallel com- puting platforms (up to thousands of processors). This includes support for most popular parallel and serial computers. A differential-algebraic-equation (DAE) formulation, which better isolates the device model package from solver algorithms. This allows one to develop new types of analysis without requiring the implementation of analysis-specific device models. Device models that are specifically tailored to meet Sandia's needs, including some radiation- aware devices (for Sandia users only). Object-oriented code design and implementation using modern coding practices. Xyce is a parallel code in the most general sense of the phrase -- a message passing parallel implementation -- which allows it to run efficiently a wide range of computing platforms. These include serial, shared-memory and distributed-memory parallel platforms. Attention has been paid to the specific nature of circuit-simulation problems to ensure that optimal parallel efficiency is achieved as the number of processors grows. Trademarks The information herein is subject to change without notice. Copyright c 2002-2015 Sandia Corporation. All rights reserved. Xyce TM Electronic Simulator and Xyce TM are trademarks of Sandia Corporation. Portions of the Xyce TM code are: Copyright c 2002, The Regents of the University of California. Produced at the Lawrence Livermore National Laboratory. Written by Alan Hindmarsh, Allan Taylor, Radu Serban. UCRL-CODE-2002-59 All rights reserved. Orcad, Orcad Capture, PSpice and Probe are registered trademarks of Cadence Design Systems, Inc. Microsoft, Windows and Windows 7 are registered trademarks of Microsoft Corporation. Medici, DaVinci and Taurus are registered trademarks of Synopsys Corporation. Amtec and TecPlot are trademarks of Amtec Engineering, Inc. Xyce 's expression library is based on that inside Spice 3F5 developed by the EECS Department at the University of California. The EKV3 MOSFET model was developed by the EKV Team of the Electronics Laboratory-TUC of the Technical University of Crete. All other trademarks are property of their respective owners. Contacts Bug Reports (Sandia only) http://joseki.sandia.gov/bugzilla http://charleston.sandia.gov/bugzilla World Wide Web http://xyce.sandia.gov http://charleston.sandia.gov/xyce (Sandia only) Email xyce@sandia.gov (outside Sandia) xyce-sandia@sandia.gov (Sandia only)

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Xyce Parallel Electronic Simulator Users' Guide Version 6.6.

This manual describes the use of the Xyce Parallel Electronic Simulator. Xyce has been de- signed as a SPICE-compatible, high-performance analog circuit simulator, and has been written to support the simulation needs of the Sandia National Laboratories electrical designers. This development has focused on improving capability over the current state-of-the-art in the following areas: Capability to solve extremely large circuit problems by supporting large-scale parallel com- puting platforms (up to thousands of processors). This includes support for most popular parallel and serial computers. A differential-algebraic-equation (DAE) formulation, which better isolates the device model package from solver algorithms. This allows one to develop new types of analysis without requiring the implementation of analysis-specific device models. Device models that are specifically tailored to meet Sandia's needs, including some radiation- aware devices (for Sandia users only). Object-oriented code design and implementation using modern coding practices. Xyce is a parallel code in the most general sense of the phrase -- a message passing parallel implementation -- which allows it to run efficiently a wide range of computing platforms. These include serial, shared-memory and distributed-memory parallel platforms. Attention has been paid to the specific nature of circuit-simulation problems to ensure that optimal parallel efficiency is achieved as the number of processors grows. The information herein is subject to change without notice. Copyright c 2002-2016 Sandia Corporation. All rights reserved. Acknowledgements The BSIM Group at the University of California, Berkeley developed the BSIM3, BSIM4, BSIM6, BSIM-CMG and BSIM-SOI models. The BSIM3 is Copyright c 1999, Regents of the University of California. The BSIM4 is Copyright c 2006, Regents of the University of California. The BSIM6 is Copyright c 2015, Regents of the University of California. The BSIM-CMG is Copyright c 2012 and 2016, Regents of the University of California. The BSIM-SOI is Copyright c 1990, Regents of the University of California. All rights reserved. The Mextram model has been developed by NXP Semiconductors until 2007, Delft University of Technology from 2007 to 2014, and Auburn University since April 2015. Copyrights c of Mextram are with Delft University of Technology, NXP Semiconductors and Auburn University. The MIT VS Model Research Group developed the MIT Virtual Source (MVS) model. Copyright c 2013 Massachusetts Institute of Technology (MIT). The EKV3 MOSFET model was developed by the EKV Team of the Electronics Laboratory-TUC of the Technical University of Crete. Trademarks Xyce TM Electronic Simulator and Xyce TM are trademarks of Sandia Corporation. Orcad, Orcad Capture, PSpice and Probe are registered trademarks of Cadence Design Systems, Inc. Microsoft, Windows and Windows 7 are registered trademarks of Microsoft Corporation. Medici, DaVinci and Taurus are registered trademarks of Synopsys Corporation. Amtec and TecPlot are trademarks of Amtec Engineering, Inc. All other trademarks are property of their respective owners. Contacts World Wide Web http://xyce.sandia.gov https://info.sandia.gov/xyce (Sandia only) Email xyce@sandia.gov (outside Sandia) xyce-sandia@sandia.gov (Sandia only) Bug Reports (Sandia only) http://joseki-vm.sandia.gov/bugzilla http://morannon.sandia.gov/bugzilla

47 OTHER INSTRUMENTATION↗

DOE OSTI2017

Xyce Parallel Electronic Simulator Users' Guide Version 6.8

97 MATHEMATICS AND COMPUTING↗

NASA NTRSDate not supplied

HERA in the Artemis ERA

As NASA shifts its mission objectives to the lunar surface and the return of humans to the moon in the next few years, analogs that simulate lunar transit or surface exploration are in a unique position to support spaceflight research that is aligned with future Artemis missions, especially a sustained lunar presence. NASA’s spaceflight analogs have historically focused on mission scenarios and operations for Mars exploration, including recent campaigns staged at the Human Exploration Research Analog (HERA) analog at Johnson Space Center. However, beginning in Campaign 8, future HERA missions are planned to mimic lunar operations and support research objectives that directly address knowledge gaps for lunar exploration and habitation. The Research Operations and Integration (ROI) HERA team will present a look-back over HERA mission scenarios and operations supporting NASA’s Human Research Program and international partners’ spaceflight research. An overview of critical capabilities in HERA and other similar analogs will also be presented, such as methods of simulating EVAs. Presenters will then discuss the transition to a high-fidelity lunar surface exploration mission scenario envisioned for Campaign 8, slated to begin in 2026. Operations changes that will be discussed will include simulated lunar surface exploration using a two-person simulated pressurized rover in combination with virtual reality, lunar-relevant communication delays, changes to concepts of how crew communicate with Earth-based mission supports, increased access to family & friends’ communication compared to prior campaigns, and a new mission scenario referencing Artemis mission objectives and tasks. ROI analog mission designs are driven by science objectives. The ROI HERA team will describe how the changes for Campaign 8 support ongoing spaceflight research interests and provide opportunities for investigators to design experiments more closely aligned to lunar missions. A questions and answers session will follow with attendees encouraged to ask questions.

B J Caldwell↗

NASA NTRS2013

The General-Use Nodal Network Solver (GUNNS) Modeling Package for Space Vehicle Flow System Simulation

The General-Use Nodal Network Solver (GUNNS) is a modeling software package that combines nodal analysis and the hydraulic-electric analogy to simulate fluid, electrical, and thermal flow systems. GUNNS is developed by L-3 Communications under the TS21 (Training Systems for the 21st Century) project for NASA Johnson Space Center (JSC), primarily for use in space vehicle training simulators at JSC. It has sufficient compactness and fidelity to model the fluid, electrical, and thermal aspects of space vehicles in real-time simulations running on commodity workstations, for vehicle crew and flight controller training. It has a reusable and flexible component and system design, and a Graphical User Interface (GUI), providing capability for rapid GUI-based simulator development, ease of maintenance, and associated cost savings. GUNNS is optimized for NASA's Trick simulation environment, but can be run independently of Trick.

Harvey, Jason↗

NASA NTRS1967

Design and analysis of a rate augmented digital-to-analog converter

Rate augmented digital-to-analog converter for computed time-dependent data

COMPUTER SIMULATION↗

NASA NTRSDate not supplied

The Lunar Regolith Terrain (LRT) Field: A New Lunar Surface Planetary Analog Facility at NASA Marshall Space Flight Center (MSFC)

Introduction: NASA is moving toward a new age of exploration and resource utilization of the lunar surface. Challenges related to exploration, resource utilization, and construction at the Lunar South Pole will require advanced technology and well-designed mission concepts and operations. NASA Marshall Space Flight Center (MSFC) has added new capabilities to support surface mobility and construction activities to meet industry, academia, and NASA research and development goals for lunar applications. The Lunar Regolith Terrain (LRT) field is a new, large-area, lunar regolith simulant planetary analog testing ground for users interested in surface mobility and lunar construction activities. The LRT complements NASA MSFC’s other lunar environment testing facilities such as the Lunar Surface Simulator (V20 dirty vacuum chamber), the Lunar Environment Testing System (LETS), among many others. Lunar Regolith Terrain (LTR) Description: The Lunar Regolith Terrain field is an outdoor planetary analog environment facility located on base at MSFC. The lunar regolith simulant is JSC-1A feedstock material (volcanic cinder sand sourced from Meriam Crater, Flagstaff, AZ). The field contains more than 500 tons of lunar regolith simulant confined within a 125 ft x 125 ft (38 m x 38 m) area. The field is placed ~ 50% over paved parking lot and ~ 50% over a natural ground. Currently, the depth of regolith ranges between ~ 5 in - ~ 4 ft (~ 13cm – 1.2m) but can be modified to suit user needs. The lunar regolith simulant that makes up the field has representative geotechnical, geochemical, and optical properties of lunar mare basalt. An area within the LRT of lunar highlands terrain simulant is planned. Additional Features of the LRT: The LRT was designed to allow rapid modification of the terrain’s topography obstacles in the field. The terrain can be reshaped to suit specific testing requirements that may require flat expanses, steep hills, or heavily cratered and rocky landscapes. Large rocky obstacles in Fig. 1 are artificial landscape boulders (faux-rocks) that can be easily placed by users or removed entirely. Areas of the field also contain buried fiducials, large sheets, bar stock, and pipes of various composition and dimensions to allow for possible ground penetrating radar and shallow seismic studies. Rapid modification capabilities will also allow for burial of additional user-specific materials to enable in-situ resource utilization detection (e.g., burial of hydrogen sources for neutron detection or other materials). The field is also equipped with on-site office space with an air-conditioned and heated trailer with 120/240V power and lighting. The site has Wi-Fi and Cellular signal coverage. Direct radio frequency communication with the Huntsville Operations Support Center (HOSC) is in development. Additional on-site workspace and secure equipment storage is available in adjacent buildings. Accessibility to the field is straightforward with on-site parking and access for delivery of instruments, payloads, and additional equipment. Community Availability: The LRTF provides an accessible planetary analog surface environment for surface mobility testing, autonomous roving operations, developing advanced navigation techniques and operations development. Interested parties can contact the abstract authors for additional details, tours, and scheduling.

Lunar Regolith↗

DOE OSTI2025

Combining Reactive Quantum-Mechanical Molecular-Dynamics Simulations with Mutagenesis, Crystallography, and Enzyme Kinetics to Reveal Plausible Steps of Isocyanide Hydratase Catalysis

A complete understanding of enzyme mechanisms requires atomistic details of chemical reactions. Quantum-based molecular dynamics simulations (QMD) are a potential source of this information, but trade-offs between accuracy and computational cost have limited their use. We previously developed extended Lagrangian Born–Oppenheimer molecular dynamics (XL-BOMD) methods that leverage a negligible compromise in accuracy to substantially decrease the cost of QMD simulations. Here, we develop a reactive QMD approach using the latest XL-BOMD formulation, which enables efficient simulations of highly reactive systems, and use it to investigate mechanisms of intermediate formation in isocyanide hydratase (ICH) catalysis. In QMD simulations, molecular analogs of ICH active site residues reacted with para-nitrophenyl isocyanide, forming a thioimidate. Analysis of simulated atomic configurational and charge dynamics revealed a pathway where protonation of the isocyanide carbon occurs prior to thioimidate formation and suggested a possible role of Asp17 as a proton donor in the early phase of ICH catalysis. To test whether the pathway seen using the reactive QMD approach might be relevant to ICH catalysis, we performed X-ray crystallography and pre-steady-state enzyme kinetics studies of wild-type and D17N mutant ICH. Both the structure and kinetics are sensitive to the D17N mutation in a manner that is consistent with the order of the reaction steps seen in the simulations. Mobile protons play essential roles in many enzymes, yet they are difficult to observe experimentally, making the ordering of proton-dependent steps ambiguous in many enzyme mechanisms. The ability to directly simulate model reactions for the design of experiments that provide information about enzyme mechanisms involving mobile protons demonstrates the significance of our reactive QMD approach and motivates further biological applications.

36 MATERIALS SCIENCE↗

NASA NTRS2012

Desert RATS 2011: Near-Earth Asteroid Human Exploration Operations

The Desert Research and Technology Studies (D-RATS) 2011 field test involved the planning and execution of a series of exploration scenarios under operational conditions similar to those that would be expected during a human exploration mission to a near-Earth asteroid (NEA). The focus was on understanding the operations tempo during simulated NEA exploration and the implications of communications latency and limited data bandwidth. Anchoring technologies and sampling techniques were not evaluated due to the immaturity of those technologies and the inability to meaningfully test them at D-RATS. Reduced gravity analogs and simulations are being used to fully evaluate Multi-Mission Space Exploration Vehicle (MMSEV) and extravehicular (EVA) operations and interactions in near-weightlessness at a NEA as part of NASA s integrated analogs program. Hypotheses were tested by planning and performing a series of 1-day simulated exploration excursions comparing test conditions all of which involved a single Deep Space Habitat (DSH) and either zero, one, or two MMSEVs; three or four crewmembers; one of two different communications bandwidths; and a 100-second roundtrip communications latency between the field site and Houston. Excursions were executed at the Black Point Lava Flow test site with a Mission Control Center and Science Support Room at Johnson Space Center (JSC) being operated with 100-second roundtrip communication latency to the field. Crews were composed of astronauts and professional field geologists and teams of Mission Operations, Science, and Education & Public Outreach (EPO) experts also supported the mission simulations each day. Data were collected separately from the Crew, Mission Operations, Science, and EPO teams to assess the test conditions from multiple perspectives. For the operations tested, data indicates practically significant benefits may be realized by including at least one MMSEV and by including 4 versus 3 crewmembers in the NEA exploration architecture as measured by increased Scientific Data Quality, EVA Exploration Time, Capability Assessment Ratings, and Overall Acceptability ratings by Crew, Mission Operations, Science, and Education & Public Outreach teams. A combination of text and voice was used to effectively communicate over the 100-second roundtrip communications latency and increased communication bandwidth yielded a small but practically significant improvement in Overall Acceptability as rated by the Science team, although the impact of bandwidth on scientific strategic planning was not assessed. No effect of increased bandwidth was observed with respect to Crew, Mission Operations, or EPO team ratings of Overall Acceptability.

Abercromby, Andrew↗

NASA NTRS1975

Study report on combining diagnostic and therapeutic considerations with subsystem and whole-body simulation

Current applications of simulation models for clinical research described included tilt model simulation of orthostatic intolerance with hemorrhage, and modeling long term circulatory circulation. Current capabilities include: (1) simulation of analogous pathological states and effects of abnormal environmental stressors by the manipulation of system variables and changing inputs in various sequences; (2) simulation of time courses of responses of controlled variables by the altered inputs and their relationships; (3) simulation of physiological responses of treatment such as isotonic saline transfusion; (4) simulation of the effectiveness of a treatment as well as the effects of complication superimposed on an existing pathological state; and (5) comparison of the effectiveness of various treatments/countermeasures for a given pathological state. The feasibility of applying simulation models to diagnostic and therapeutic research problems is assessed.

Furukawa, S.↗

NASA NTRS2007

NASA/Haughton-Mars Project 2006 Lunar Medical Contingency Simulation

A viewgraph presentation describing NASA's Haughton-Mars Project (HMP) medical requirements and lunar surface operations is shown. The topics onclude: 1) Mission Purpose/ Overview; 2) HMP as a Moon/Mars Analog; 3) Simulation objectives; 4) Discussion; and 5) Forward work.

Scheuring, Richard A.↗

DOE OSTI2017

Realizing the Power of Near-Term Quantum Technologies

This the final report of the LDRD project entitled "Realizing the Power of Near-Term Quantum Technologies", which was tasked with laying a theoretical foundation and computational framework for quantum simulation on quantum devices, to support both future Sandia efforts and the broader academic research effort in this area. The unifying theme of the project has been the desire to delineate more clearly the interface between existent classical computing resources that are vast and reliable with emerging quantum computing resources that will be scarce and unreliable for the foreseeable future. We seek to utilize classical computing resources to judge the efficacy of quantum devices for quantum simulation tasks and determine when they exceed the performance of classical devices, thereby achieving "quantum supremacy". This task was initially pursued by adapting the general concept of "parameter space compression" to quantum simulation. An inability to scale this analysis efficiently to large-scale simulations precipitated a shift in focus to assessing quantum supremacy of a specific quantum device, a 1D Bose gas trapped in an optical lattice, that was more amenable to large-scale analysis. We also seek to reconstruct unobserved information from limited observations of a quantum device to enhance their utility. This task was initially pursued as an application of maximum entropy reconstruction. Initial attempts to improve entropy approximations for direct reconstruction by free energy minimization proved to be more difficult than expected, and the focus shifted to the development of a quantum thermostat to facilitate indirect reconstruction by evolving a quantum Markov process. An efficient quantum thermostat is broadly useful for quantum state preparation in almost any quantum simulation task. In the middle of the project, a small opportunistic investment was made in a high-risk experiment to build an analog quantum simulator out of hole quantum dots in Ge/SiGe heterostructures. While a useful simulator was not produced, hole quantum dots at a Ge/SiGe interface have been successfully observed for the first time.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Preparation for quantum simulation of the ( 1 + 1 ) -dimensional O(3) nonlinear σ model using cold atoms

The 1+1D O(3) non-linear σ-model is a model system for future quantum lattice simulations of other asymptotically-free theories, such as non-Abelian gauge theories. We find that utilizing dimensional reduction can make efficient use of two-dimensional layouts presently available on cold atom quantum simulators. A new definition of the renormalized coupling is introduced, which is applicable to systems with open boundary conditions and can be measured using analog quantum simulators. Monte Carlo and tensor network calculations are performed to determine the quantum resources required to reproduce perturbative short-distance observables. In particular, we show that a rectangular array of 48 Rydberg atoms with existing quantum hardware capabilities should be able to adiabatically prepare low-energy states of the perturbatively-matched theory. Furthermore, these states can then be used to simulate non-perturbative observables in the continuum limit that lie beyond the reach of classical computers.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Benchmarking Quantum Simulators Using Ergodic Quantum Dynamics

Here we propose and analyze a sample-efficient protocol to estimate the fidelity between an experimentally prepared state and an ideal target state, applicable to a wide class of analog quantum simulators without advanced spatiotemporal control. Our protocol relies on universal fluctuations emerging from generic Hamiltonian dynamics, which we discover in the present work. It does not require fine-tuned control over state preparation, quantum evolution, or readout capability, while achieving near optimal sample complexity: a percent-level precision is obtained with ~103 measurements, independent of system size. Furthermore, the accuracy of our fidelity estimation improves exponentially with increasing system size. We numerically demonstrate our protocol in a variety of quantum simulator platforms, including quantum gas microscopes, trapped ions, and Rydberg atom arrays. We discuss applications of our method for tasks such as multiparameter estimation of quantum states and processes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2019

Ab initio exact diagonalization simulation of the Nagaoka transition in quantum dots

Recent progress of quantum simulators provides insight into the fundamental problems of strongly correlated systems. To adequately assess the accuracy of these simulators, the precise modeling of the many-body physics, with accurate model parameters, is crucially important. In this paper, we employed an ab initio exact diagonalization framework to compute the correlated physics of a few electrons in artificial potentials. We apply this approach to a quantum-dot system and study the magnetism of the correlated electrons, obtaining good agreement with recent experimental measurements in a plaquette. Through control of dot potentials and separation, including geometric manipulation of tunneling, we examine the Nagaoka transition and determine the robustness of the ferromagnetic state. While the Nagaoka theorem considers only a single-band Hubbard model, in this work we perform extensive ab initio calculations that include realistic multiorbital conditions in which the level splitting is smaller than the interactions. In this work, this simulation complements the experiments and provides insight into the formation of ferromagnetism in correlated systems. More generally, our calculation sets the stage for further theoretical analysis of analog quantum simulators at a quantitative level.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1961

A Three-Axis Fixed-Simulator Investigation of the Effects on Control Precision of Various Ways of Utilizing Rate Signals

A three-axis vehicle control study has been made by use of a fixed simulator and analog computing equipment, to evaluate the effects of various ways of utilizing rate information. A side-arm controller providing proportional acceleration control was used with a simulated vehicle having no inherent stability or damping. Vehicle rate signals were used to provide control feedback or system damping and were used in the instrument display either separate from or summed with displacement signals. Near optimum performance of both transitions in roll and control of system disturbance was obtained by using a combination of system damping and summed displacement signals and rate signals.

McKee, John W.↗

NASA NTRS2019

Innovative Approaches to Using the International Space Station as a Mars Transit Analog

Human research on the International Space Station (ISS) crew has made significant advances in understanding of the effects of physiology on human health in space missions. However, ISS has not been as suitable for research on other hazards of human spaceflight such as isolation and communications delay. NASA recently completed a special assessment of whether modifications could be made to operations or facilities so that ISS could be used more effectively as an analog to simulate long-duration crew missions beyond low earth orbit. A cross-disciplinary team met to identify concept of operations, trade spaces, challenges, and opportunities to making ISS more operationally relevant as a Mars transit mission analog, and the results and implementation plans are summarized in this manuscript. In addition to the use case of 12-month missions (already in planning by the NASA ISS Program to bound expected Mars transit durations), three new use cases where ISS could provide valuable high-fidelity experience were identified. (1) Testing of operations procedures and medical care could be enhanced by demonstrating crew handling a simulated medical event in microgravity, autonomously, and with significant communications delay. (2) Isolation and confinement effects of deep space transit could be studied on ISS to validate current habitable volume requirements for Mars transit as well as provide context for evaluating the results of the extensive ground-based simulations in HERA and NEK. A trade study of possible operational and hardware changes that would make ISS applicable to these use cases was completed. (3) Surface operations after the physiological deconditioning of a long transit could be conducted to validate crew ability to perform critical ground tasks after 6-month Mars transit and aid in conceptual design of Mars surface element architectures. Each of the case studies includes a trade space between operational impacts on nominal ISS activities and degree of fidelity. A phased approach to implementation means that several "quick start" activities can be done in 2019-2020 at the same time as planning continues for more complex exploration analog options beginning as early as 2022. The team determined that many of these quick-start tasks could be done with available assets, entirely independent of other exploration system development timelines (such as Orion, Space Launch System). The consideration of the full suite of human spaceflight capabilities in the lunar vicinity can also be included as each step in human exploration serves as a simulation opportunity for some aspect of subsequent missions. Further discussions of options with the international community are critical for considering the benefits as well as impacts of simulation activities on ISS, as well as to better formulate future mission architectures.

Robinson, Julie A.↗

DOE OSTI2018

Cold Commissioning Simulant Selection for the Hanford Tank Waste Treatment Plant LAW Facility - 18465

Commissioning the Low-Activity Waste (LAW) Facility of the Hanford Tank Waste Treatment and Immobilization Plant (WTP) will require large volumes (∼2,000,000 liters) of a non-radioactive, chemically analogous waste simulant. Cold commissioning will provide for operator training in an integrated facility, demonstration of mechanical process equipment capacity, environmental performance demonstration of emissions control systems, and process control systems shakedown and tuning. Selection of the cold commissioning simulant is following a structured four-phase process to arrive at the preferred composition and recipe. Phases I, II and III are complete. Phase I laid the framework for decision making with preparation of a Project Management Plan, an update to the Simulant Development, Approval, Validation, and Documentation procedure, and a kickoff meeting to gather stakeholder input into the simulant definition and selection criteria. Phase II consisted of a comprehensive literature search and compilation of LAW simulant recipes, followed by initial screening against the selection criteria identified in Phase I. This process identified 72 candidate simulant recipes and down-selected 9 for further study. Phase III studies involved a) statistical comparisons of the similarity of candidate simulant compositions to the tank waste feed vector, b) process modelling of the commissioning sequence with each simulant to estimate glass former and simulant material consumption, offgas and effluent volumes and compositions, and product glass volumes and compositions, and c) evaluation of simulants against the immobilized LAW glass composition algorithm to determine allo able waste loading to ensure compliance with product specifications and process constraints. The results of these studies identified two of the candidate recipes to be carried forward to full-scale testing. Phase IV consists of testing these two recipes at vendor facilities to determine scalability, fabricability, and stability of the simulants when produced at industrial scale. Scalability is the ability to take a recipe from bench scale (1 to 40 liters) batch size to full scale (>35,000 liters) batch size. Fabricability is the ability of a recipe to be prepared in large batches without the need for complex or expensive mechanical equipment, heating, or cooling systems. Stability is the ability of a simulant to withstand long term storage and variations in environmental conditions without unacceptable changes in key characteristics (the set of chemical, physical, and rheological parameters that the simulant is intended to exhibit during cold commissioning tests). Simulants will also be tested for compatibility with other startup material (i.e., frit), tuning simulants, and environmental performance demonstration test spiking solutions to ensure against unexpected situations. Using a structured process is essential when making high impact decisions such as waste simulant selection. Proper planning and a clear explanation of how the decision process will unfold is key to obtaining stakeholder buy-in as more information is gathered. The documentation resulting from this structured selection process will be compiled and summarized in a Cold Commissioning Simulant Definition deliverable due to the Department of Energy 24 months before the start of Cold Commissioning. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗