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DOE OSTI2016

A Kinematic Rupture Model Generator Using Irikura's Recipe

In this project we developed GEN_SRF4 a computer program for generating kinematic rupture models, compatible with the SRF format, using Irikura and Miyake (2011) asperity-based earthquake rupture model (IM2011, hereafter). IM2011, also known as Irkura’s recipe, has been widely used to model and simulate ground motion from earthquakes in Japan. An essential part of the method is its kinematic rupture generation technique, which is based on a deterministic rupture asperity modeling approach. The source model simplicity and efficiency of IM2011 at reproducing ground motion from earthquakes recorded in Japan makes it attractive to developers and users of the Southern California Earthquake Center Broadband Platform (SCEC BB platform). Besides writing the code the objective of our study was to test the transportability of IM2011 to broadband simulation methods used by the SCEC BB platform. Here we test it using the Graves and Pitarka (2010) method, implemented in the platform. We performed broadband (0.1- -10 Hz) ground motion simulations for a M6.7 scenario earthquake using rupture models produced with both GEN_SRF4 and rupture generator of Graves and Pitarka (2016), (GP2016 hereafter). In the simulations we used the same Green’s functions, and same high frequency approach for calculating the low-frequency and high-frequency parts of ground motion, respectively.

58 GEOSCIENCES↗

DOE OSTI2016

Report on the Second ARM Mobile Facility (AMF2) Roll, Pitch, and Heave (RPH) Stabilization Platform: Design and Evaluation

One of the primary objectives of the U.S. Department of Energy’s Atmospheric Radiation Measurement (ARM) Climate Research Facility’s second Mobile Facility (AMF2) is to obtain reliable measurements of solar, surface, and atmospheric radiation, as well as cloud and atmospheric properties, from ocean-going vessels. To ensure that these climatic measurements are representative and accurate, many AMF2 instrument systems are designed to collect data in a zenith orientation. A pillar of the AMF2 strategy in this effort is the use of a stable platform. The purpose of the platform is to 1) mitigate vessel motion for instruments that require a truly vertical orientation and keep them pointed in the zenith direction, and 2) allow for accurate positioning for viewing or shading of the sensors from direct sunlight. Numerous ARM instruments fall into these categories, but perhaps the most important are the vertically pointing cloud radars, for which vertical motions are a critical parameter. During the design and construction phase of AMF2, an inexpensive stable platform was purchased to perform the stabilization tasks for some of these instruments. The first table compensated for roll, pitch, and yaw (RPY) and was reported upon in a previous technical report (Kafle and Coulter, 2012). Subsequently, a second table was purchased specifically for operation with the Marine W-band cloud radar (MWACR). Computer programs originally developed for RPY were modified to communicate with the new platform controller and with an inertial measurements platform that measures true ship motion components (roll, pitch, yaw, surge, sway, and heave). This platform could not be tested dynamically for RPY because of time constraints requiring its deployment aboard the container ship Horizon Spirit in September 2013. Hence the initial motion tests were conducted on the initial cruise. Subsequent cruises provided additional test results. The platform, as tested, meets all the design and performance criteria established for its use. This is a report of the results of those efforts and the critical points in moving forward

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

Report on the Second ARM Mobile Facility (AMF2) Stabilization Platform: Control Strategy and Implementation

One of the primary objectives of the U.S. Department of Energy’s Atmospheric Radiation Measurement (ARM) Climate Research Facility’s second Mobile Facility (AMF2) is to obtain reliable measurements from ocean-going vessels. A pillar of the AMF2 strategy in this effort is the use of a stable platform for those instruments that 1) need to look directly at, or be shaded from, direct sunlight or 2) require a truly vertical orientation. Some ARM instruments that fall into these categories include the Multi-Filter Rotating Shadow Band Radiometer (MFRSR) and the Total Sky Imager (TSI), both of which have a shadow band mechanism, upward-looking radiometry that should be exposed only to the sky, a Microwave Radiometer (MWR) that looks vertically and at specified tilt angles, and vertically pointing radars, for which the vertical component of motion is critically important. During the design and construction phase of AMF2, an inexpensive stable platform was purchased to perform the stabilization tasks for some of these instruments. Computer programs were developed to communicate with the platform controller and with an inertial measurements platform that measures true ship motion components (roll, pitch, yaw, surge, sway, and heave). The platform was then tested on a 3-day cruise aboard the RV Connecticut during June 16-18, 2010, off the east coast of the United States. This initial test period was followed by continued development of the platform control strategy and implementation as time permitted. This is a report of the results of these efforts and the critical points in moving forward.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2015

Report on results of current and future metal casting

New modeling capabilities needed to simulate the casting of metallic fuels are added to Truchas code. In this report we summarize improvements we made in FY2015 in three areas; (1) Analysis of new casting experiments conducted with BCS and EFL designs, (2) the simulation of INL’s U-Zr casting experiments with Flow3D computer program, (3) the implementation of surface tension model into Truchas for unstructured mesh required to run U-Zr casting.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2017

Maxdose-SR and popdose-SR routine release atmospheric dose models used at SRS

MAXDOSE-SR and POPDOSE-SR are used to calculate dose to the offsite Reference Person and to the surrounding Savannah River Site (SRS) population respectively following routine releases of atmospheric radioactivity. These models are currently accessed through the Dose Model Version 2014 graphical user interface (GUI). MAXDOSE-SR and POPDOSE-SR are personal computer (PC) versions of MAXIGASP and POPGASP, which both resided on the SRS IBM Mainframe. These two codes follow U.S. Nuclear Regulatory Commission (USNRC) Regulatory Guides 1.109 and 1.111 (1977a, 1977b). The basis for MAXDOSE-SR and POPDOSE-SR are USNRC developed codes XOQDOQ (Sagendorf et. al 1982) and GASPAR (Eckerman et. al 1980). Both of these codes have previously been verified for use at SRS (Simpkins 1999 and 2000). The revisions incorporated into MAXDOSE-SR and POPDOSE-SR Version 2014 (hereafter referred to as MAXDOSE-SR and POPDOSE-SR unless otherwise noted) were made per Computer Program Modification Tracker (CPMT) number Q-CMT-A-00016 (Appendix D). Version 2014 was verified for use at SRS in Dixon (2014).

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2017

PCF File Format.

PCF files are binary files designed to contain gamma spectra and neutron count rates from radiation sensors. It is the native format for the GAmma Detector Response and Analysis Software (GADRAS) package [1]. It can contain multiple spectra and information about each spectrum such as energy calibration. This document outlines the format of the file that would allow one to write a computer program to parse and write such files.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2018

Limits on Subcritical Reactivity Determination using Rossi-α and Related Methods

The subcritical reactivity, ρ, of a neutron multiplying system is of interest to many factions of the nuclear community. The subcritical reactivity in a nuclear system can be inferred from measurements of the prompt neutron decay constant, α. Near critical, the reactivity is linearly proportional with α, but the linearity between these quantities does not hold in systems with low multiplication or significantly above prompt critical. This work examines a large range of subcritical prompt neutron decay constant measurements on a thermal HEU metal system. This system is designed to mimic a solution system and to have the optimal H/ 235 U ratio to minimize the critical mass. The reactivity of these measurements varies between 0$\$$ and 70$\$$ below critical. In addition to experimental measurements on the thermal system, simulations are performed on both the thermal HEU system and a fast HEU metal system. Both the fast and thermal results are compared to baseline simulations performed using criticality eigenvalue (KCODE) mode in MCNP®6.2. These simulations are used for comparisons on the linearity between α and ρ. Prompt neutron decay constant measurements in this work are performed using the Rossi-α method. The measurements are taken using a 3 He neutron detection system and a Los Alamos National Laboratory designed list-mode data acquisition system. A specially designed computer program determines α from list-mode data. The α-eigenvalue, or α at delayed critical, for the thermal HEU system is -199:4±4:4 s -1 as measured during this work. The α-eigenvalue for the fast HEU system was previously measured to be -8:5 x 10 -5 s -1 . The results from the thermal HEU system study suggest that the relationship between ρ and α is linear when k eff > 0:80 based on the simulation results. The experimental results also agree with this result, but have less fidelity. No experimental results are available for the fast HEU system.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2018

Sensitivity ZAM Modeling Study of Tank 10H VDS Waste Sample (U)

The objective of this work is to study the sensitivity of cesium loading expected on the Tank Closure Cesium Removal (TCCR) columns. Savannah River National Laboratory (SRNL) utilized ZAM, a computer program developed by the research group of Professor Rayford G. Anthony of Texas A&M University, for prediction of cesium loading on the Crystalline Silicotitanate (CST) resin during the processing of Tank 10H Variable Depth Sample (VDS) waste solution.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

Modeling Crystalline Silicotitanate Performance to Support TCCR Batch 1 and Batch 1A Operations (U)

The objective of this work is to calculate the expected ion-exchange (IX) column performances of the Tank Closure Cesium Removal (TCCR) system for Tank 10H closure. Savannah River National Laboratory (SRNL) utilized: (1) the ZAM computer program (Version 4) developed by Texas A&M University for prediction of cesium loading on the crystalline silicotitanate (CST) media, (2) the OLI Studio™ software (Version 9.6) from OLI Systems to estimate waste solution properties, and (3) the VERSE-LC code (Version 7.8) developed by Purdue University to calculate column performances. The study specifically evaluates the TCCR system performance to process Tank 10H Batch 1A supernate.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

Collaborative study on Earthquake Ground Motion Simulation Using Rupture Dynamics

The objective of this multi-year project between the LLNL and Kyoto University, is the investigation of effects of rupture dynamics on near-fault ground motion amplitude for strike slip earthquakes through rupture dynamics simulations. The work presented in this report was in part performed by Jikai Sun, a graduate student from Kyoto university, during his visit to the LLNL as a summer student. He was trained by Dr. Pitarka in using computer programs for generating rupture models and performing rupture dynamics simulations.

58 GEOSCIENCES↗

DOE OSTI2015

Report on results of current and future metal fuel casting

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2019

PCF File Format

PCF files are binary files designed to contain gamma spectra and neutron count rates from radiation sensors. It is the native format for the GAmma Detector Response and Analysis Software (GADRAS) package. It can contain multiple spectra and information about each spectrum such as energy calibration. This document outlines the format of the file that would allow one to write a computer program to parse and write such files.

61 RADIATION PROTECTION AND DOSIMETRY↗

DOE OSTI2021

Crystalline Silicotitanate (CST) Ion Exchange Media Performance Evaluations to Support TSCR DSA IX Media Equilibrium Contacts

The primary objective of this work is to calculate the maximum loading expected on the Hanford Tank Side Cesium Removal (TSCR) ion exchange columns. A key consideration in the design of the columns is the amount of 137 Cs that loads onto the Crystalline Silicotitanate (CST) and the heat generated by the loaded column during storage. Per request of Washington River Protection Solutions (WRPS), Savannah River National Laboratory (SRNL) has utilized ZAM, a computer program developed by the research group of Professor Rayford G. Anthony of Texas A&M University, to predict the cesium loading on the CST for a variety of waste compositions expected to be processed by TSCR. The study evaluated cesium loadings for the following waste compositions: 1. Seventeen DFLAW campaign batches to cover projected supernate composition ranges within which TSCR may be expected to operate within the first ten years, 2. Hanford tank AP-105 and AP-107 waste solutions that will be processed by the TSCR system.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Real-Time Drilling Optimization System for Improved Overall Rate of Penetration and Reduced Cost Per Foot in Geothermal Drilling

The key to success in geothermal drilling is economic feasibility, and a major cost in the development of geothermal resources is the actual drilling of the wells. In this project, a real-time drilling optimization system for geothermal drilling was developed. The system couples three individual components while drilling. The first component is a drill stem vibration analysis model, the second is Mechanical Specific Energy (MSE) analyses, and the third is a detailed PDC Rate of Penetration (ROP) drill bit model for optimum RPM and WOB combinations. The benefit of the coupled system is that the range of WOB and RPM could be selected to avoid drill stem vibrations. Secondly, MSE is used as an efficiency measure and the detailed PDC drill bit model ensures the drill bit does not endure temperatures that exceed the temperature at which the PDC cutters experience accelerated wear. The new detailed PDC bit model is based on rock/bit interaction that physically tracks the PDC cutter wear flats as the bit drills ahead giving the capability to calculate the temperature being generated underneath the worn cutters to better advise on operational parameters to avoid accelerated cutter wear and failure and to ensure that operational parameters are applied so that overall ROP is maximized. By combining the drill stem vibrations and the detailed PDC bit cutter wear and “safe” non-accelerated cutter wear temperature and optimum ranges of operating parameters, it results in higher ROP and lower cost drilling. Single cutter PDC testing performed in different lithologies at Sandia was utilized to verify the PDC cutter forces and depth of cut for new and worn cutters. Based on single cutter PDC temperature modeling, verification using single cutter data from the testing done by National Oilwell Varco (NOV) was performed. Sandia’s Hard-Rock Drilling Facility (HRDF) was utilized to test different drill bit configurations with different cutter designs and wear status with different induced modes of vibration to obtain the critical bit RPM/WOB ranges resulting in ineffective drilling and low ROP. The collected test data were further used to verify and calibrate the full hole PDC ROP model that was developed based on single cutter interaction data. A full coupled drill stem vibration model was formulated and verified with geothermal field data from the Chocolate Mountain Aerial Gunnery Range (CMAGR). A graphical user interface (GUI) was developed using Tkinter library in the computer programming language Python, which integrates all the developed models in one system. The developed system consists mainly of the PDC ROP model, PDC bit wear model, PDC cutter temperature model, Mechanical Specific Energy (MSE) model, and drillstring vibration model integrated into one system. The developed system can be used for both, post well analysis and real-time optimization using different criteria such as ROP maximization or MSE minimization. The software uses Differential Evolution Algorithm (DEA) to find optimum values for operational parameters based on last foot drilled while avoiding the drillstring vibration and cutter temperature critical operating parameters.

15 GEOTHERMAL ENERGY↗

DOE OSTI2022

Probing the solidification of quasicrystals via joint experiment and simulation (Final Report)

Quasicrystals (QCs) possess long-range positional order but non-crystallographic orientational order. Their classically ‘forbidden’ symmetry has long attracted the interest of scientists worldwide. Despite their frequent observation in both metal alloys and soft matter structures in the 35 years since their discovery, little is known about how QCs evolve from a liquid, amorphous, or crystalline precursor. In this project, we sought to resolve the enigma of QC self-assembly through a combined experimental and computational program. The Shahani group employed in situ electron and synchrotron X ray imaging to peer into the growth dynamics of QCs in a liquid, covering a broad range of length scales and solidification pathways. Glotzer's team developed new simulation models incorporating phasonic defects — which are unique to quasicrystals — and used this model to investigate two grains growing together, closely mimicking the experimental conditions. While QCs remain exceptional structures, most compounds in the realm of intermetallics adopt non-trivial geometries. In fact, only around 6% of phases are comprised of the simplest sphere packings that researchers so readily associate with metals. State-of-the-art knowledge of phase transformations at the outset of this collaborative project did not encompass the remaining 94% of intermetallic compounds that possess complex and aperiodic structure types. Therefore, we expect that outcomes from this project will have immediate and profound impact on synthesis and processing science: our efforts will be used to not only explain the growth dynamics of QCs but also complex intermetallics more broadly.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Summary of Thermodynamic Data Integration (M4SF-23LL010301052)

This progress report (Level 4 Milestone Number M4SF-23LL010301052) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Argillite Activity Number M4SF-23LL010301052. SUPCRTNE is being developed as the primary engine for thermodynamic database development in support of geologic disposal of high-level nuclear waste. As used here, “SUPCRT” refers to both a computer program and its supporting database. Additional letters or numbers refer to specific variants (SUPCRT92, Johnson et al., 1992; SUPCRTBL, Zimmer et al., 2016; and SUPCRTNE). A SUPCRT database contains the data required to calculate the thermodynamic properties of solid, gas, and aqueous species over a wide range of temperature and pressure. Normally SUPCRT is used to create a higher-level data base that directly supports modeling and simulation codes such as EQ3/6, GWB, PHREEQC, and PFLOTRAN.

58 GEOSCIENCES↗

DOE OSTI2024

M3SF-24LL010301052-Summary of SUPCRTNE testing and Rev0 database

This progress report (Level 3 Milestone Number M3SF-24LL010301052) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Argillite Disposal R&D work package SF-24LL01030105. SUPCRTNE is being developed as the primary engine for thermodynamic database development in support of geologic disposal of high-level nuclear waste. As used here, “SUPCRT” refers to both a computer program and its supporting database. Additional letters or numbers refer to specific variants (SUPCRT92, (Johnson et al., 1992); SUPCRTBL, (Zimmer et al., 2016); and SUPCRTNE). A SUPCRT database contains the data required to calculate the thermodynamic properties of solid, gas, and aqueous species over a wide range of temperature and pressure. Normally, SUPCRT is used to create a higher-level database that directly supports modeling and simulation codes such as EQ3/6, GWB, PHREEQC, and PFLOTRAN.

58 GEOSCIENCES↗

DOE OSTI2025

Tokamak Disruption Simulation (Final Technical Report)

The Tokamak Disruption Simulation collaboration was a SciDAC (Scientific Discovery through Advanced Computing) program led by Xianzhu Tang of the Los Alamos National Laboratory but with separate grants to each institution. I was the PI for Columbia University and the only person at Columbia directly funded by this SciDAC. Disruptions are a sudden loss of confinement in tokamaks, and a reliable method of preventing disruptions must be developed before tokamak fusion power plants become feasible. A related plasma confinement concept, the stellarator, is the only way known way of preventing disruptions with the required reliability. The largest devices, both existing and under construction, for confining plasmas for fusion using magnetic fields are tokamaks, so it is important to solve their disruption issues. The sudden loss of confinement in tokamaks can be from a bit of material falling into the plasma, which causes the plasma energy to be quickly lost by radiation, or by an instability causing a breakup of the confining surfaces formed by the magnetic field. This breakup can occur more than a million times faster than one would naively think possible. The sudden breakup of surfaces is called a fast magnetic reconnection and also results in a sudden cooling of the plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗