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Final Reports from the Los Alamos National Laboratory Computational Physics Student Summer Workshop

The two primary purposes of LANL’s Computational Physics Student Summer Workshop are (1) To educate graduate and exceptional undergraduate students in the challenges and applications of computational physics of interest to LANL, and (2) Entice their interest toward those challenges. Computational physics is emerging as a discipline in its own right, combining expertise in mathematics, physics, and computer science. The mathematical aspects focus on numerical methods for solving equations on the computer as well as developing test problems with analytical solutions. The physics aspects are very broad, ranging from low-temperature material modeling to extremely high temperature plasma physics, radiation transport and neutron transport. The computer science issues are concerned with matching numerical algorithms to emerging architectures and maintaining the quality of extremely large codes built to achieve multi-physics calculations. Although graduate programs associated with computational physics are emerging, it is apparent that the pool of U.S. citizens in this multidisciplinary field is relatively small and is typically not focused on the aspects that are of primary interest to LANL. Furthermore, more structured foundations for LANL interaction with universities in computational physics is needed; currently interactions rely almost solely on individuals’ personalities and personal contacts. Thus a tertiary purpose of the Summer Workshop is to build an educational network of LANL researchers, university professors, and emerging students to advance the field and LANL’s involvement in it. This was the second year for the Summer Workshop. Like the previous year, the workshop’s goals were achieved by bringing into LANL a select group of students recruited from across the United States and immersing them for ten weeks in lectures and interesting research projects. The lectures provided an overview of the computational physics topics of interest this year along with some detailed instruction while the projects gave the students a positive experience accomplishing technical goals. Each team consisted of two students working under one or more mentors from LANL on specific research projects associated with predefined topics. This year, the topics were on verification of simulations in plasma and radiation-hydrodynamics codes, hypervelocity material deformation, plasma physics, graphical processor unit (“GPU”) programming, multi-material mixing, turbulence modeling, computational material science, and electromagnetic pulse simulations. The students’ growth was furthered by their participation on teams where their teammates were sometimes of different academic rank. It also developed them by requiring them to produce written and oral reports that they presented to peers, mentors, and management.

97 MATHEMATICS AND COMPUTING↗

Safety of Hydrogen Systems Installed in Outdoor Enclosures

The Hydrogen Safety Panel brings a broad cross-section of expertise from the industrial, government, and academic sectors to help advise the U.S. Department of Energy’s (DOE) Fuel Cell Technologies Office through its work in hydrogen safety, codes, and standards. The Panel’s initiatives in reviewing safety plans, conducting safety evaluations, identifying safety-related technical data gaps, and supporting safety knowledge tools and databases cover the gamut from research and development to demonstration and deployment. The Panel’s recent work has focused on the safe deployment of hydrogen and fuel cell systems in support of DOE efforts to accelerate fuel cell commercialization in early market applications: vehicle refueling, material handling equipment, backup power for warehouses and telecommunication sites, and portable power devices. This paper resulted from observations and considerations stemming from the Panel’s work on early market applications. This paper focuses on hydrogen system components that are installed in outdoor enclosures. These enclosures might alternatively be called “cabinets,” but for simplicity, they are all referred to as “enclosures” in this paper. These enclosures can provide a space where a flammable mixture of hydrogen and air might accumulate, creating the potential for a fire or explosion should an ignition occur. If the enclosure is large enough for a person to enter, and ventilation is inadequate, the hydrogen concentration could be high enough to asphyxiate a person who entered the space. Manufacturers, users, and government authorities rely on requirements described in codes to guide safe design and installation of such systems. Except for small enclosures used for hydrogen gas cylinders (gas cabinets), fuel cell power systems, and the enclosures that most people would describe as buildings, there are no hydrogen safety requirements for these enclosures, leaving gaps that must be addressed. This paper proposes that a technical basis be developed to enable code bodies to write requirements for the range of enclosures from the smallest to the largest.

08 HYDROGEN↗

Insights on STEM Careers

This presentation will provide career advice for individuals seeking to go beyond just having a job to building a successful career in the areas of Science, Technology, Engineering, and Mathematics. Careful planning can be used to turn a job into a springboard for professional advancement and personal satisfaction. Topics to be addressed include setting priorities, understanding career ladders, making tough choices, overcoming stereotypes and assumptions by others, networking, developing a professional identify, and balancing a career with family and other personal responsibilities. Insights on the transition from individual technical work to leadership will also be provided. The author will draw upon experiences gained in academic, industrial, and government laboratory settings, as well as extensive professional service and community involvement.

99 GENERAL AND MISCELLANEOUS↗

Developing evidence-based prescriptive ventilation rate standards for commercial buildings in California: a proposed framework

Background - The goal of this project, with a focus on commercial buildings in California, was to develop a new framework for evidence-based minimum ventilation rate (MVR) standards that protect occupants in buildings while also considering energy use and cost. This was motivated by research findings suggesting that current prescriptive MVRs in commercial buildings do not provide occupants with fully safe and satisfactory indoor environments. Methods - The project began with a broad review in several areas ? the diverse strategies now used for standards or guidelines for MVRs or for environmental contaminant exposures, current knowledge about adverse human effects associated with VRs, and current knowledge about contaminants in commercial buildings, including their their presence, their adverse human effects, and their relationships with VRs. Based on a synthesis of the reviewed information, new principles and approaches are proposed for setting evidence-based VRs standards for commercial buildings, considering a range of human effects including health, performance, and acceptability of air. Results ? A review and evaluation is first presented of current approaches to setting prescriptive building ventilation standards and setting acceptable limits for human contaminant exposures in outdoor air and occupational settings. Recent research on approaches to setting acceptable levels of environmental exposures in evidence-based MVR standards is also described. From a synthesis and critique of these materials, a set of principles for setting MVRs is presented, along with an example approach based on these principles. The approach combines two sequential strategies. In a first step, an acceptable threshold is set for each adverse outcome that has a demonstrated relationship to VRs, as an increase from a (low) outcome level at a high reference ventilation rate (RVR, the VR needed to attain the best achievable levels of the adverse outcome); MVRs required to meet each specific outcome threshold are estimated; and the highest of these MVRs, which would then meet all outcome thresholds, is selected as the target MVR. In a second step, implemented only if the target MVR from step 1 is judged impractically high, costs and benefits are estimated and this information is used in a risk management process. Four human outcomes with substantial quantitative evidence of relationships to VRs are identified for initial consideration in setting MVR standards. These are: building-related symptoms (sometimes called sick building syndrome symptoms), poor perceived indoor air quality, and diminished work performance, all with data relating them directly to VRs; and cancer and non-cancer chronic outcomes, related indirectly to VRs through specific VR-influenced indoor contaminants. In an application of step 1 for offices using a set of example outcome thresholds, a target MVR of 9 L/s (19 cfm) per person was needed. Because this target MVR was close to MVRs in current standards, use of a cost/benefit process seemed unnecessary. Selection of more stringent thresholds for one or more human outcomes, however, could raise the target MVR to 14 L/s (30 cfm) per person or higher, triggering the step 2 risk management process. Consideration of outdoor air pollutant effects would add further complexity to the framework. For balancing the objective and subjective factors involved in setting MVRs in a cost-benefit process, it is suggested that a diverse group of stakeholders make the determination after assembling as much quantitative data as possible.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Dose Calculation Methodology and Data for Solid Waste Performance Assessment and Composite Analysis at the Savannah River Site

This report provides a detailed description of the methodology developed to perform dose calculations for E-Area Low Level Waste Facility Performance Assessments and Savannah River Site Composite Analyses. Chapters 2 – 8 give a complete set of equations to be used to calculate dose for individual exposure pathways. The first set of dose scenarios assume that a member of the public establishes residence near the waste site and uses contaminated groundwater or contaminated surface water for personal consumption and to irrigate a garden and pasture where produce and farm animals are raised. Products from the garden and farm animals are used for personal consumption. This scenario applies to both E-Area Performance Assessments and Savannah River Site Composite Analyses. General dose exposure pathways for the resident farmer scenario are: 1. Ingestion pathways described in Chapter 2, 2. Inhalation pathways described in Chapter 3, 3. External exposure pathways described in Chapter 4, and 4. Recreational pathways described in Chapter 5 (Composite Analysis only). Doses from all of the above pathways are directly related to the contaminant concentration in the water. Additional dose scenarios considered for E-Area Performance Assessment assume that an inadvertent intruder encroaches on the waste disposal site after loss of institutional control. General dose exposure pathways considered for the inadvertent intruder are: 1. Ingestion pathways described in Chapter 6, 2. Inhalation pathways described in Chapter 7, and 3. External exposure pathways described in Chapter 8. Doses from all of the intruder pathways are directly related to the contaminant concentration in the buried waste. Special dose considerations related to human consumption of meat and dairy, and treatment of tritium in dose calculations are discussed in Chapter 9. Chapter 10 describes an Excel database named “Radionuclide, Element and Dose Parameter Data Package” that has been created to provide a system for maintaining the data required to perform radionuclide transport and dose calculations. This data includes: Isotope physical parameters and radioactive decay data needed for both transport and dose calculations, Isotope-specific dose coefficients and soil shielding factors associated with exposure pathways, Radionuclide drinking water concentration limits either published by the Environmental Protection Agency or derived from internal dose coefficients to meet the groundwater protection requirements in Department of Energy Order 435.1, Element-specific bio-transfer factors used in dose calculations, Dose equations and values of physical parameters and human factors used in dose calculations, and Key physical constants used in dose calculations.

54 ENVIRONMENTAL SCIENCES↗

Transformative Reduction of Transportation Greenhouse Gas Emissions. Opportunities for Change in Technologies and Systems

The transportation sector is changing, influenced by concurrent, ongoing, dynamic trends that could dramatically affect the future energy landscape, including effects on the potential for greenhouse gas emissions reductions. Battery cost reductions and improved performance coupled with a growing number of electric vehicle model offerings are enabling greater battery electric vehicle market penetration, and advances in fuel cell technology and decreases in hydrogen production costs are leading to initial fuel cell vehicle offerings. Radically more efficient vehicles based on both conventional and new drivetrain technologies reduce greenhouse gas emissions per vehicle-mile. Net impacts also depend on the energy sources used for propulsion, and these are changing with increased use of renewable energy and unconventional fossil fuel resources. Connected and automated vehicles are emerging for personal and freight transportation systems and could increase use of low- or non-emitting technologies and systems; however, the net effects of automation on greenhouse gas emissions are uncertain. The longstanding trend of an annual increase in transportation demand has reversed for personal vehicle miles traveled in recent years, demonstrating the possibility of lower-travel future scenarios. Finally, advanced biofuel pathways have continued to develop, highlighting low-carbon and in some cases carbon-negative fuel pathways. We discuss the potential for transformative reductions in petroleum use and greenhouse gas emissions through these emerging transportation-sector technologies and trends and present a Clean Transportation Sector Initiative scenario for such reductions, which are summarized in Table ES-1.

54 ENVIRONMENTAL SCIENCES↗

2015 Final Reports from the Los Alamos National Laboratory Computational Physics Student Summer Workshop

The two primary purposes of LANL’s Computational Physics Student Summer Workshop are (1) To educate graduate and exceptional undergraduate students in the challenges and applications of computational physics of interest to LANL, and (2) Entice their interest toward those challenges. Computational physics is emerging as a discipline in its own right, combining expertise in mathematics, physics, and computer science. The mathematical aspects focus on numerical methods for solving equations on the computer as well as developing test problems with analytical solutions. The physics aspects are very broad, ranging from low-temperature material modeling to extremely high temperature plasma physics, radiation transport and neutron transport. The computer science issues are concerned with matching numerical algorithms to emerging architectures and maintaining the quality of extremely large codes built to perform multi-physics calculations. Although graduate programs associated with computational physics are emerging, it is apparent that the pool of U.S. citizens in this multi-disciplinary field is relatively small and is typically not focused on the aspects that are of primary interest to LANL. Furthermore, more structured foundations for LANL interaction with universities in computational physics is needed; historically interactions rely heavily on individuals’ personalities and personal contacts. Thus a tertiary purpose of the Summer Workshop is to build an educational network of LANL researchers, university professors, and emerging students to advance the field and LANL’s involvement in it. This report includes both the background for the program and the reports from the students.

36 MATERIALS SCIENCE↗

Continuation and Enhancement of the MPOWIR Program

MPOWIR is a community-based program that provides mentoring to physical oceanographers from late graduate school through early careers. The overall goal of MPOWIR is to make mentoring opportunities for junior physical oceanographers universally available and of higher quality by expanding the reach of mentoring opportunities beyond individual home institutions. The aim is to reduce the barriers to career development for all junior scientists in the field, with a particular focus on improving the retention of junior women. Over the past five years MPOWIR has expanded significantly. This funding cycle saw the development and enhancement of MPOWIR’s programs and outreach opportunities. MPOWIR’s main programmatic offerings are: mentor groups, a biannual conference, a website and blog, and town hall meetings at national events. Since 2009, MPOWIR has hosted 15 mentor groups, three Pattullo conferences, and created a website that has attracted over 50,000 visitors. MPOWIR’s mentoring groups and Pattullo conferences have reached more than 130 unique participants. Mentor Groups Mentor groups were established in the fall of 2008, and continue to gain momentum after 5 years. Since 2009, 11 groups have formed, with participants mainly, but not exclusively, drawn from Pattullo attendees. To gauge the impact of mentor groups, participants are surveyed approximately annually. Based on an extensive 2011 survey, 100% of mentoring group participants reported that they made progress on their stated scientific, professional, and personal goals. As part of these surveys, participants are asked what they value about their mentoring group, what the benefit of the mentoring group is to their current position, and they are asked questions about the logistics and setup of the groups. Based on the survey conducted in 2012, all participants rated participation in these groups a valuable experience, with particular value placed on feedback on professional development (100% Excellent to Good) and feedback on personal matters (92% Excellent to Good). Pattullo Conferences The centerpiece of the MPOWIR program is the Pattullo Conference, named for June Pattullo, the first woman to receive a Ph.D. in physical oceanography. At each event, the agenda includes research talks, professional development sessions, small group activities, and a question-and-answer session about early-career and retention issues posed by junior scientists to senior researchers. Pattullo Conference participants are surveyed after each conference about their experience. This survey asks participants to rate their opinion on specific topics and invites comments. Combining results from three conferences, 99% of junior participants would recommend the conference to another junior scientist. Of the junior participants, 92% rated the conference as “extremely valuable” overall, with a particular value placed on networking and professional development opportunities. Overall Impact To gain a better perspective on the success of MPOWIR to date, early participants were surveyed in 2013 about their current position, and the impact of MPOWIR on their career path. Individuals were asked to rank the extent to which MPOWIR had impacted various aspects of their professional growth. These aspects included efforts to obtain their current position; exposure to professional development skills; broadening of their professional network; mentoring on work and family balance; performance in current position; and raising awareness of mentoring in career development. Participants overwhelming indicated that MPOWIR had positively impacted all of these aspects. In particular, 95% of respondents expressed that MPOWIR exposed them to useful professional development skills “to a great extent” and 89% consider MPOWIR to have positively impacted their professional network “to a great extent”. Of those surveyed, the majority of participants were 2 years from their Ph.D. at the time of initial involvement. Their current job positions are well distributed over all post-Ph.D. categories: the greatest percentages of positions held are at research institutions (non-academic) or government agencies (29.3%), followed closely by non-faculty research positions at universities (27.6%) and faculty at research universities (22.4%). The remaining positions held (4-year college faculty, profit or not-for-profit company, policy, and graduate students) collectively total 19%. These initial indications point toward mentoring, as offered by MPOWIR, as an effective means for improving retention of women in physical oceanography.

58 GEOSCIENCES↗

Fall Protection Introduction, #33462

The proper use of fall prevention and fall protection controls can reduce the risk of deaths and injuries caused by falls. This course, Fall Protection Introduction (#33462), is designed as an introduction to various types of recognized fall prevention and fall protection systems at Los Alamos National Laboratory (LANL), including guardrail systems, safety net systems, fall restraint systems, and fall arrest systems. Special emphasis is given to the components, inspection, care, and storage of personal fall arrest systems (PFASs). This course also presents controls for falling object hazards and emergency planning considerations for persons who have fallen.

99 GENERAL AND MISCELLANEOUS↗

Assessing the Macroeconomic Importance of Gasoline and Vehicle Spending

Vector error correction (VEC) was used to test the importance of a theoretical causal chain from transportation fuel cost to vehicle sales to macroeconomic activity. Real transportation fuel cost was broken into two cost components: real gasoline price (rpgas) and real personal consumption of gasoline and other goods (gas). Real personal consumption expenditure on vehicles (RMVE) represented vehicle sales. Real gross domestic product (rGDP) was used as the measure of macroeconomic activity. The VEC estimates used quarterly data from the third quarter of 1952 to the first quarter of 2014. Controlling for the financial causes of the recent Great Recession, real homeowners’ equity (equity) and real credit market instruments liability (real consumer debt, rcmdebt) were included. Results supported the primary hypothesis of the research, but also introduced evidence that another financial path through equity is important, and that use of the existing fleet of vehicles (not just sales of vehicles) is an important transport-related contributor to macroeconomic activity. Consumer debt reduction is estimated to be a powerful short-run force reducing vehicle sales. Findings are interpreted in the context of the recent Greene, Lee, and Hopson (2012) (hereafter GLH) estimation of the magnitude of three distinct macroeconomic damage effects that result from dependence on imported oil, the price of which is manipulated by the Organization of Petroleum Exporting Countries (OPEC). The three negative macroeconomic impacts are due to (1) dislocation (positive oil price shock), (2) high oil price levels, and (3) a high value of the quantity of oil imports times an oil price delta (cartel price less competitive price). The third of these is the wealth effect. The VEC model addresses the first two, but the software output from the model (impulse response plots) does not isolate them. Nearly all prior statistical tests in the literature have used vector autoregression (VAR) and autoregressive distributed lag models that considered effects of oil price changes, but did not account for effects of oil price levels. Gasoline prices were rarely examined. The tests conducted in this report evaluate gasoline instead of oil.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

2016 Final Reports from the Los Alamos National Laboratory Computational Physics Student Summer Workshop

The two primary purposes of LANL’s Computational Physics Student Summer Workshop are (1) To educate graduate and exceptional undergraduate students in the challenges and applications of computational physics of interest to LANL, and (2) Entice their interest toward those challenges. Computational physics is emerging as a discipline in its own right, combining expertise in mathematics, physics, and computer science. The mathematical aspects focus on numerical methods for solving equations on the computer as well as developing test problems with analytical solutions. The physics aspects are very broad, ranging from low-temperature material modeling to extremely high temperature plasma physics, radiation transport and neutron transport. The computer science issues are concerned with matching numerical algorithms to emerging architectures and maintaining the quality of extremely large codes built to perform multi-physics calculations. Although graduate programs associated with computational physics are emerging, it is apparent that the pool of U.S. citizens in this multi-disciplinary field is relatively small and is typically not focused on the aspects that are of primary interest to LANL. Furthermore, more structured foundations for LANL interaction with universities in computational physics is needed; historically interactions rely heavily on individuals’ personalities and personal contacts. Thus a tertiary purpose of the Summer Workshop is to build an educational network of LANL researchers, university professors, and emerging students to advance the field and LANL’s involvement in it.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

System Engineering Analysis For Improved Scout Business Information Systems

The project uses system engineering principles to address the need of Boy Scout leaders for an integrated system to facilitate advancement and awards records, leader training and planning for meetings and activities. Existing products to address needs of Scout leaders and relevant stakeholders function to support record keeping and some communication functions but opportunity exists for a better system to fully integrate these functions with training delivery and recording, activity planning along with feedback and information gathering from stakeholders. Key stakeholders for the sytem include Scouts and their families, leaders, training providers, sellers of supplies and awards, content generators and facilities that serve Scout activities. Key performance parameters for the system are protection of personal information, availability of current information, information accuracy and information content that has depth. Implementation concepts considered for the system include (1) owned and operated by Boy Scouts of America, (2) Contracted out to a vendor (3) distributed system that functions with BSA managed interfaces. The selected concept is to contract out to a vendor to maximize the likelihood of successful integration and take advantage of the best technology. Development of requirements considers three key use cases (1) System facilitates planning a hike with training needed satisfied in advance and advancement recording real time (2) Scheduling and documenting in-person training, (3) Family interested in Scouting receives information and can request follow-up. Non-functional requirements are analyzed with the Quality Function Deployment tool. Requirement addressing frequency of backup, compatibility with legacy and new technology, language support, software update are developed to address system reliability and intuitive interface. System functions analyzed include update of activity database, maintenance of advancement status, archive of documents, and monitoring of content that is accessible. The study examines risks associated with information security, technological change and continued popularity of Scouting. Mitigation is based on system functions that are defined. The approach to developing an improved system for facilitating Boy Scout leader functions was iterative with insights into capabilities coming in the course of working through the used cases and sequence diagrams.

97 MATHEMATICS AND COMPUTING↗

PNNL Measurement Results for the 2016 Criticality Accident Dosimetry Exercise at the Nevada National Security Stite (IER-148)

The Pacific Northwest National Laboratory (PNNL) participated in a criticality accident dosimetry intercomparison exercise held at the Nevada National Security Site (NNSS) May 24-27, 2016. The exercise was administered by Lawrence Livermore National Laboratory (LLNL) and consisted of three exposures performed using the Godiva-IV critical assembly housed in the Device Assembly Facility (DAF) located on the NNSS site. The exercise allowed participants to test the ability of their nuclear accident dosimeters to meet the performance criteria in ANSI/HPS N13.3-2013, Dosimetry for Criticality Accidents and to obtain new measurement data for use in revising dose calculation methods and quick sort screening methods where appropriate. PNNL participated with new prototype Personal Nuclear Accident Dosimeter (PNAD) and Fixed Nuclear Accident Dosimeter (FNAD) designs as well as the existing historical PNAD design. The new prototype designs incorporate optically stimulated luminescence (OSL) dosimeters in place of thermoluminescence dosimeters (TLDs), among other design changes, while retaining the same set of activation foils historically used. The default dose calculation methodology established decades ago for use with activation foils in PNNL PNADs and FNADs was used to calculate neutron dose results for both the existing and prototype dosimeters tested in the exercise. The results indicate that the effective cross sections and/or dose conversion factors used historically need to be updated to accurately measure the operational quantities recommended for nuclear accident dosimetry in ANSI/HPS N13.3-2013 and to ensure PNAD and FNAD performance meets the ANSI/HPS N13.3-2013 performance criteria. The operational quantities recommended for nuclear accident dosimetry are personal absorbed dose, Dp(10), and ambient absorbed dose, D*(10).

61 RADIATION PROTECTION AND DOSIMETRY↗

Organization of the 17th Advanced Accelerator Concepts (AAC16) Workshop by the IEEE. Final Scientific/Technical Report On AWARD NO. DE-SC0015635

The 2016 Workshop on Advanced Accelerator Concepts (AAC) was held at the Gaylord Hotel and Conference Center, National Harbor, Maryland, from July 31 through August 5, 2016. This workshop was the seventeenth in a biennial series that began at Los Alamos National Laboratory in 1982 with a workshop on laser acceleration of particles (see AIP Conf. Proc. 91). AAC16 was organized under the sponsorship of the IEEE Council on Superconductivity with financial support from the U. S. Department of Energy Office of High Energy Physics and the National Science Foundation. The scope of the AAC Workshop has grown since 1982 to encompass a broad range of topics related to advancing accelerator science and technology beyond its current scientific and technical limits and is now an internationally acknowledged forum for interdisciplinary discussions on advanced accelerator and beam physics/technology concepts covering the widest possible range of applications. The Workshop continued the trend of growing worldwide participation, attracting world wide participation. The Workshop had a total of 256 attendees comprising (including the U.S.) representatives from 11 countries representing 65 different institutions. Each day’s schedule began with plenary sessions covering broad, cross disciplinary interests or general tutorial topics as selected by the Program Committee, followed by a break out into more narrowly focused working groups. The Workshop was organized into eight Working Groups each with a published statement of topical focus, scope of discussion and goals. A summary of the Working Group activities and conclusions is included in the American Institute of Physics’ (AIP) Conference Proceedings now available as an on line open source document. It has been a long tradition of the AAC workshops to encourage strong student participation. This is accomplished in part by subsidizing student attendance, done for this work shop by using funds from the DOE and National Science Foundation to significantly reduce student registration fees. As a result the registered student participation was 75 persons, or 29% of the total attendance of 256 persons, the highest percentage student enrollment the Workshop has ever had. This is the final report for the DOE Office of Science/Office of High Energy Physics grant NO. DE-SC0015635, entitled “Organization of the17th Advanced Accelerator Concepts Workshop by the IEEE.”

43 PARTICLE ACCELERATORS↗

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↗

Compendium of Tour-Based Freight Modeling Literature

Transportation officials, metropolitan planning organizations (MPOs), and companies of varying size can all benefit from freight movement data. Obtaining freight movement data and route choice information is crucial to planning, improving current and future transportation infrastructure, locating businesses, improving efforts to streamline goods movement, especially urban goods movement, and reducing energy usage within freight transportation. Obtaining data on freight movements can also help in better planning transportation infrastructure to improve safety. Also, with increasing demands and changing consumption habits, mobility being offered as a service, and with new technologies such as 3-D printing, the landscape of freight planning is changing, as businesses compete to meet the needs of a growing customer base, while transportation planners aim at meeting these needs by maintaining and updating the transportation infrastructure.For decades, transportation research has focused on passenger travel behavior. Much of this research has examined route decision choice and, more recently, trip chaining of personal vehicles, both individually and collectively. Discrete choice modeling has commonly been used to better understand passenger movement and predict route decisions based on geographic and demographic data from Census data and personal surveys, and micro-simulation has been used to model estimated movements through the transportation network. However, there is a growing interest in examining freight movements, and although previous research has been done to look at freight route choice regarding individual trips, there is increasing interest in freight tours. This paper is an overview of the current tour-based freight modeling methodology found in the literature. Background information on tour-based freight modeling is provided, as well as common modeling methods, data sources, and findings. Consideration is given to new technologies and safety considerations excluded from the current literature. Suggestions are provided for future tour-based freight modeling studies.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Optimization of a Lithium Ion Battery Bioleaching Process Utilizing Organic Acids Produced by Gluconobacter oxydans

Growing our global economic and environmental focus relies, in part, on our development of a sustainable system to recycle valuable metals. This endeavor to recycle these elements falls within the scope of Idaho National Laboratories (INL) mission to pursue new sustainable energy systems that are competitive. To succeed in this endeavor in not only a low-cost but environmentally safe practice, Gluconobacter oxydans was utilized for its ability to produce a bio-lixiviant known for its critical material leaching abilities. G. oxydans is a rod-shaped, gram negative, acidophilic, and obligately aerobic organism. Unlike many other aerobic organisms, it does not completely oxidize its carbon sources to water and carbon dioxide. Instead it incompletely oxidizes its substrates to aldehydes, ketones and organic acids. Because of this metabolic pathway, it was utilized in a batch reactor setting to produce sufficient amounts of a low-pH bio-lixiviant so that leaching processes could be performed on lithium ion battery cathode powders. Some of these processes included adding different molar ratios of a redox agent to the produced bio-lixiviant, alternating concentrations of lithium ion battery cathode powders, varying leaching time, and changing the temperature each leach was performed at. From this, a biohydrometallurgy process was successfully created for the leaching of cobalt from lithium ion cathode powders This project provided a multitude of laboratory and research experiences that resulted in ample opportunity for professional and personal growth. In addition to this, the INL experience fostered the development of many personal skills and business skills to assist in future career opportunities.

25 ENERGY STORAGE↗

Dose Calculation Methodology and Data for Solid Waste Performance Assessment and Composite Analysis at the Savannah River Site

This report provides a detailed description of the methodology developed to perform dose calculations for E-Area Low Level Waste Facility Performance Assessments and Savannah River Site Composite Analyses. Chapters 2 – 8 give a complete set of equations to be used to calculate dose for individual exposure pathways. The first set of dose scenarios assume that a member of the public establishes residence near the waste site and uses contaminated groundwater or contaminated surface water for personal consumption and to irrigate a garden and pasture where produce and farm animals are raised. Products from the garden and farm animals are used for personal consumption. This scenario applies to both E-Area Performance Assessments and Savannah River Site Composite Analyses. General dose exposure pathways for the resident farmer scenario are: 1. Ingestion pathways described in Chapter 2, 2. Inhalation pathways described in Chapter 3, 3. External exposure pathways described in Chapter 4, and 4. Recreational pathways described in Chapter 5 (Composite Analysis only). Doses from all of the above pathways are directly related to the contaminant concentration in the water. Additional dose scenarios considered for E-Area Performance Assessment assume that an inadvertent intruder encroaches on the waste disposal site after loss of institutional control. General dose exposure pathways considered for the inadvertent intruder are: 1. Ingestion pathways described in Chapter 6, 2. Inhalation pathways described in Chapter 7, and 3. External exposure pathways described in Chapter 8. Doses from all of the intruder pathways are directly related to the contaminant concentration in the buried waste. Special dose considerations related to human consumption of meat and dairy, and treatment of tritium in dose calculations are discussed in Chapter 9. Chapter 10 describes an Excel database named “Radionuclide, Element and Dose Parameter Data Package” that has been created to provide a system for maintaining the data required to perform radionuclide transport and dose calculations. This data includes: Isotope physical parameters and radioactive decay data needed for both transport and dose calculations, Isotope-specific dose coefficients and soil shielding factors associated with exposure pathways, Radionuclide drinking water concentration limits either published by the Environmental Protection Agency or derived from internal dose coefficients to meet the groundwater protection requirements in Department of Energy Order 435.1, Element-specific bio-transfer factors used in dose calculations, Dose equations and values of physical parameters and human factors used in dose calculations, and Key physical constants used in dose calculations. Revision 1 incorporates updated information developed since this report was issued for use in the next revision of the E-Area Low-Level Waste Facility Performance Assessment.

54 ENVIRONMENTAL SCIENCES↗