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DOE OSTI2015

Integrated research training program of excellence in radiochemistry

The overall goal of this “Integrated Research Training Program of Excellence in Radiochemistry” is to provide a rich and deep research experience in state-of-the-art radiochemistry and in the fundamentals of radioisotopic labeling and tracer methodology to develop researchers who are capable of meeting the challenges of designing and preparing radiotracers of broad applicability for monitoring and imaging diverse biological systems and environmental processes. This program was based in the Departments of Radiology and Radiation Oncology at Washington University Medical School and the Department of Chemistry at the University of Illinois at Urbana Champaign, and it was initially directed by Professor Michael J. Welch as Principal Investigator. After his passing in 2012, the program was led by Professor Suzanne E. Lapi. Programmatic content and participant progress was overseen by an Internal Advisory Committee of senior investigators consisting of the PIs, Professor Mach from the Department of Radiology at Washington University and Professor John A. Katzenellenbogen of the Department of Chemistry at the University of Illinois. A small External Advisory Committee to give overall program guidance was also constituted of experts in radiolabeled compounds and in their applications in environmental and plant science.

18F↗

DOE OSTI2013

Highly Insulating Windows Volume Purchase Program (Final Report)

This report documents the development, execution outcomes and lessons learned of the Highly Insulating Windows Volume Purchase (WVP) Program carried out over a three-year period from 2009 through 2012. The primary goals of the program were met: 1) reduce the incremental cost of highly insulating windows compared to ENERGY STAR windows; and 2) raise the public and potential buyers’ awareness of highly insulating windows and their benefits. A key outcome of the program is that the 2013 ENERGY STAR Most Efficient criteria for primary residential windows were adopted from the technical specifications set forth in the WVP program.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

2016 Fermilab Laboratory Directed Research & Development Program Plan

Fermilab is executing Laboratory Directed Research and Development (LDRD) as outlined by order DOE O 413.2B in order to enhance and realize the mission of the laboratory in a manner that also supports the laboratory’s strategic objectives and the mission of the Department of Energy. LDRD funds enable scientific creativity, allow for exploration of “high risk, high payoff” research, and allow for the demonstration of new ideas, technical concepts, and devices. LDRD also has an objective of maintaining and enhancing the scientific and technical vitality of Fermilab. LDRD is able to fund employee-initiated proposals that address the current strategic objectives and better position Fermilab for future mission needs. The request for such funds is made in consideration of the investment needs, affordability, and directives from DOE and Congress. Review procedures of the proposals will insure that those proposals which most address the strategic goals of the DOE and the Laboratory or which best position Fermilab for the future will be recommended to the Laboratory Director who has responsibility for approval. The execution of each approved project will be the responsibility of the Principal Investigator, PI, who will follow existing Laboratory guidelines to ensure compliance with safety, environmental, and quality assurance practices. A Laboratory Director-appointed LDRD Coordinator will work with Committees, Laboratory Management, other Fermilab Staff, and the PI’s to oversee the implementation of policies and procedures of LDRD and provide the management and execution of this Annual Program Plan. FY16 represents third fiscal year in which LDRD has existed at Fermilab. The number of preliminary proposals (117) submitted in response to the LDRD Call for Proposals indicates very strong interest of the program within the Fermilab community. The first two Calls have resulted in thirteen active LDRD projects – and it is expected that between five and seven new projects will be approved in response to the FY16 Call for Proposals. The implementation of the program compared with FY15 is mostly unchanged except that the program is on the expected normal fiscal year calendar cycle with new projects starting at the beginning of the fiscal year. Because of this, there is some expanded discussion that the Laboratory Director may decide to initiate mid-year Late Start or Strategic- Hire LDRD projects.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2016

The Texas A&M Radioisotope Production and Radiochemistry Program

The main motivation of the project at Texas A&M University was to carry out the production of critically needed radioisotopes used in medicine for diagnostic and therapy, and to establish an academic program in radionuclide production and separation methods. After a lengthy battle with the Texas A&M University Radiation Safety Office, the Texas Department of State Health Services granted us a license for the production of radionuclides in July 2015, allowing us to work in earnest in our project objectives. Experiments began immediately after licensing, and we started the assembly and testing of our target systems. There were four analytical/theoretical projects and two experimental target systems. These were for At-211 production and for Zn- 62/Cu-62 production. The theoretical projects were related to the production of Mo-99/Tc-99m using (a) a subcritical aqueous target system and (b) production of Tc-99m from accelerator-generated Mo-99 utilizing a photon-neutron interaction with enriched Mo-100 targets. The two experimental projects were the development of targetry systems and production of At-211 and Zn-62/Cu-62 generator. The targetry system for At-211 has been tested and production of At-211 is chronic depending of availability of beam time at the cyclotron. The installation and testing of the targetry system for the production of Zn-62/Cu-62 has not been finalized. A description of the systems is described. The academic program in radionuclide production and separation methods was initiated in the fall of 2011; due to the lack of a radiochemistry laboratory, it was suspended. We expect to re-start the academic program at the Texas A&M Institute for Preclinical Studies under the Molecular Imaging Program.

43 PARTICLE ACCELERATORS↗

DOE OSTI2016

The Texas A&M Radioisotope Production and Radiochemistry Program

The main motivation of the project at Texas A&M University was to carry out the production of critically needed radioisotopes used in medicine for diagnostics and therapy, and to establish an academic program in radionuclide production and separation methods. After a lengthy battle with the Texas A&M University Radiation Safety Office, the Texas Department of State Health Services granted us a license for the production of radionuclides in July 2015, allowing us to work in earnest in our project objectives. Experiments began immediately after licensing, and we started the assembly and testing of our target systems. There were four analytical/theoretical projects and two experimental target systems. These were for At-211 production and for Zn-62/Cu-62 production. The theoretical projects were related to the production of Mo-99/Tc-99m using a) a subcritical aqueous target system and b) production of Tc-99m from accelerator-generated Mo-99 utilizing a photon-neutron interaction with enriched Mo-100 targets. The two experimental projects were the development of targetry systems and production of At-211 and Zn-62/Cu-62 generator. The targetry system for At-211 has been tested and production of At-211 is chronic depending of availability of beam time at the cyclotron. The installation and testing of the targetry system for the production of Zn-62/Cu-62 has not been finalized. A description of the systems is described. The academic program in radionuclide production and separation methods was initiated in the fall of 2011 and, due to the lack of a radiochemistry laboratory, it was suspended. We expect to re-start the academic program at the Texas A&M Institute for Preclinical Studies under the Molecular Imaging Program.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2014

UCLA Translational Biomarker Development Program (UTBD)

The proposed UTBD program integrates the sciences of diagnostic nuclear medicine and (radio)chemistry with tumor biology and drug development. UTBD aims to translate new PET biomarkers for personalized medicine and to provide examples for the use of PET to determine pharmacokinetic (PK) and pharmacodynamic (PD) drug properties. The program builds on an existing partnership between the Ahmanson Translational Imaging Division (ATID) and the Crump Institute of Molecular Imaging (CIMI), the UCLA Department of Chemistry and the Division of Surgical Oncology. ATID provides the nuclear medicine training program, clinical and preclinical PET/CT scanners, biochemistry and biology labs for probe and drug development, radiochemistry labs, and two cyclotrons. CIMI provides DOE and NIH-funded training programs for radio-synthesis (START) and molecular imaging (SOMI). Other participating entities at UCLA are the Department of Chemistry and Biochemistry and the Division of Surgical Oncology. The first UTBD project focuses on deoxycytidine kinase, a rate-limiting enzyme in nucleotide metabolism, which is expressed in many cancers. Deoxycytidine kinase (dCK) positive tumors can be targeted uniquely by two distinct therapies: 1) nucleoside analog prodrugs such as gemcitabine (GEM) are activated by dCK to cytotoxic antimetabolites; 2) recently developed small molecule dCK inhibitors kill tumor cells by starving them of nucleotides required for DNA replication and repair. Since dCK-specific PET probes are now available, PET imaging of tumor dCK activity could improve the use of two different classes of drugs in a wide variety of cancers.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2015

Energy Innovation Acceleration Program

The Energy Innovation Acceleration Program (IAP) – also called U-Launch – has had a significant impact on early stage clean energy companies in the Northeast and on the clean energy economy in the Northeast, not only during program execution (2010-2014), but continuing into the future. Key results include: Leverage ratio of 105:1; $105M in follow-on funding (upon $1M investment by EERE); At least 19 commercial products launched; At least 17 new industry partnerships formed; At least $6.5M in revenue generated; >140 jobs created; 60% of assisted companies received follow-on funding within 1 year of program completion; In addition to the direct measurable program results summarized above, two primary lessons emerged from our work executing Energy IAP:; Validation and demonstration awards have an outsized, ‘tipping-point’ effect for startups looking to secure investments and strategic partnerships. An ecosystem approach is valuable, but an approach that evaluates the needs of individual companies and then draws from diverse ecosystem resources to fill them, is most valuable of all.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2017

LDRD 2016 Annual Report: Laboratory Directed Research and Development Program Activities

Each year, Brookhaven National Laboratory (BNL) is required to provide a program description and overview of its Laboratory Directed Research and Development Program (LDRD) to the Department of Energy (DOE) in accordance with DOE Order 413.2C dated October 22, 2015. This report provides a detailed look at the scientific and technical activities for each of the LDRD projects funded by BNL in FY 2016, as required. In FY 2016, the BNL LDRD Program funded 48 projects, 21 of which were new starts, at a total cost of $11.5M. The investments that BNL makes in its LDRD program support the Laboratory’s strategic goals. BNL has identified four Critical Outcomes that define the Laboratory’s scientific future and that will enable it to realize its overall vision. Two operational Critical Outcomes address essential operational support for that future: renewal of the BNL campus; and safe, efficient laboratory operations.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2017

XPRESS: eXascale PRogramming Environment and System Software

The XPRESS project is the research and development of a complete software architecture for Exascale computing. The four major R&D thrusts include: 1) an Exascale lightweight kernel operating system (LXK), based on the Kitten operating system (OS), to manage billion way hardware parallelism, management of faults and power, management of global virtual name space, and other features of future system architectures; 2) a runtime system (HPX-5), co-designed with LXK, based on the ParalleX execution model that supports dynamic resource management and task scheduling; 3) system interfaces for interoperability between the runtime system and both the OS and the runtime system (RIOS); 4) compilation strategies and systems to translate MPI and OpenMP legacy codes to a form that can be run with performance at least as good as a native code implementation. The software architecture development has been driven by performance evaluation of mini-applications developed at Department of Energy Co-Design Centers as well as ancillary in-house developed applications and benchmarks. Research on the ParalleX execution model has been driven by the development of formal semantics and model checkers for the execution model. The major components of the software architecture are: ParalleX execution model – guiding principles for co-design of components of the system stack with advances in locality management and task prioritization through introspection; HPX runtime system – support of application dynamic adaptive resource management, task scheduling, and introspective control policies; LXK operating system – lightweight kernel operating system for order-constant scalability and low/no noise to manage resources; RIOS – a realm of Exascale system operation unique in the XPRESS project that includes the relationship between the new generation of lightweight kernel operating systems and runtime system software; XPI advanced programming model – intermediate form and low-level (readable) programming interface reflecting the ParalleX model, providing a target for source-to- source high level parallel language translation, and supporting early direct programming experimentation and measurement; Performance models & metrics – providing parameters and their mutual sensitivities to guide co-design and quantify operational behavior; Legacy migration – ensuring seamless transition of legacy codes and programming methods to the future generation of ParalleX-based Exascale systems; . Experiments and evaluation – critical to determining degree of effectiveness and likelihood of ultimate success as well as guiding corrective design changes to achieve DOE objectives; and Applications – collaborations with Co-Design Centers and other mission critical codes. The exemplar implementation of the ParalleX execution model, HPX-5, has been released along with five fully ported applications (LULESH, HPCG, SSSP, WAMR, and DASHMM) and multiple microbenchmarks. Using these applications, the system architecture demonstrated dynamic load balancing through active migration, legacy code migration, and data-driven approaches to for graph-like applications. Crucially for Exascale and billion way parallelism, the needs and patterns of irregular applications in HPX-5 were addressed using local flow control rather than relying on globally synchronized data structures.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2017

Technical and Economic Aspects of Designing an Efficient Room Air-Conditioner Program in India

Several studies have projected a massive increase in the demand for air conditioners (ACs) over the next two decades in India. By 2030, room ACs could add 140 GW to the peak load, equivalent to over 30% of the total projected peak load. Therefore, there is significant interest among policymakers, regulators, and utilities in managing room AC demand by enhancing energy efficiency. Building on the historical success of the Indian Bureau of Energy Efficiency’s star-labeling program, Energy Efficiency Services Limited recently announced a program to accelerate the sale of efficient room ACs using bulk procurement, similar to their successful UJALA light-emitting diode (LED) bulk procurement program. This report discusses some of the key considerations in designing a bulk procurement or financial incentive program for enhancing room AC efficiency in India. We draw upon our previous research to demonstrate the overall technical potential and price impact of room AC efficiency improvement and its technical feasibility in India. We also discuss the importance of using low global warming potential (GWP) refrigerants and smart AC equipment that is demand response (DR) ready.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

Modeling Bilevel Programs in Pyomo

We describe new capabilities for modeling bilevel programs within the Pyomo modeling software. These capabilities include new modeling components that represent subproblems, modeling transformations for re-expressing models with bilevel structure in other forms, and optimize bilevel programs with meta-solvers that apply transformations and then perform op- timization on the resulting model. We illustrate the breadth of Pyomo's modeling capabilities for bilevel programs, and we describe how Pyomo's meta-solvers can perform local and global optimization of bilevel programs.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

QuarkNet Center Summer Programs

The purpose of this CRADA is to provide the contractual vehicle for Fermilab to receive funds from Notre Dame in support of the QuarkNet Local Programs that are managed by Fermilab. Local QuarkNet Centers provide professional development programs to high school teachers and high energy physics research opportunities to high school teachers and students who participate in the local programs. Fermilab administers a local program that combines two QuarkNet Centers, for Fermilab and the University of Chicago.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

LANL's Waste Management Transportation Program [Slides]

Los Alamos National Laboratory (LANL) has developed a safe, compliant, and cost-effective transportation program that moves over 5,000 m3 of regulated waste off site each fiscal year. This program handles all waste types including universal waste, New Mexico Special Waste, TSCA and RCRA wastes, low level and mixed low-level wastes, and TRU and MTRU wastes. This program allows for the treatment and disposal of hazardous wastes while maintaining the protection of people, facilities, and the environment This program provides critical support to a wide variety of missions across the laboratory site.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

ASCR@40: Highlights and Impacts of ASCR’s Programs

A report compiled by the ASCAC Subcommittee on the 40-year history of ASCR for the U.S. Department of Energy’s Office of Advanced Scientific Computing Research. The Office of Advanced Scientific Computing Research (ASCR) sits within the Office of Science in the Department of Energy (DOE). Per their web pages, “the mission of the ASCR program is to discover, develop, and deploy computational and networking capabilities to analyze, model, simulate, and predict complex phenomena important to the DOE.” This succinct statement encompasses a wide range of responsibilities for computing and networking facilities; for procuring, deploying, and operating high performance computing, networking, and storage resources; for basic research in mathematics and computer science; for developing and sustaining a large body of software; and for partnering with organizations across the Office of Science and beyond. While its mission statement may seem very contemporary, the roots of ASCR are quite deep—long predating the creation of DOE. Applied mathematics and advanced computing were both elements of the Theoretical Division of the Manhattan Project. In the early 1950s, the Manhattan Project scientist and mathematician John von Neumann, then a commissioner for the AEC (Atomic Energy Commission), advocated for the creation of a Mathematics program to support the continued development and applications of digital computing. Los Alamos National Laboratory (LANL) scientist John Pasta created such a program to fund researchers at universities and AEC laboratories. Under several organizational name changes, this program has persisted ever since, and would eventually grow to become ASCR.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

Multimodal Deep Learning for Flaw Detection in Software Programs

We explore the use of multiple deep learning models for detecting flaws in software programs. Current, standard approaches for flaw detection rely on a single representation of a software program (e.g., source code or a program binary). We illustrate that, by using techniques from multimodal deep learning, we can simultaneously leverage multiple representations of software programs to improve flaw detection over single representation analyses. Specifically, we adapt three deep learning models from the multimodal learning literature for use in flaw detection and demonstrate how these models outperform traditional deep learning models. We present results on detecting software flaws using the Juliet Test Suite and Linux Kernel.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

FIU Projects 4 & 5: DOE-FIU Science and Technology Workforce Development Program

The DOE-FIU Science and Technology Workforce Development Program has been designed to build upon the existing DOE/FIU relationship by creating a “pipeline” of minority engineers specifically trained and mentored to enter the Department of Energy workforce in technical areas of need. The main objective of the program is to provide interested students with a unique opportunity to integrate course work, DOE field work, and research work at FIU into a well-structured academic program that leads to entry into DOE EM’s Pathways Program. Students selected as DOE EM Fellows perform research at FIU and at DOE sites, national laboratories, and DOE contractors. Graduation and completion of this fellowship leads to employment opportunities with DOE EM, DOE contractors, DOE national laboratories, other federal agencies, and private industry as well as the pursuit of post-master or post-doctoral positions at DOE national labs.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2020

Joint Analysis of Program Data Representations using Machine Learning for Improved Software Assurance and Development Capabilities

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

2020 LLNL Nuclear Science and Security Summer Internship Program

The Lawrence Livermore National Laboratory (LLNL) Nuclear Science and Security Summer Internship Program (NS 3 IP) is designed to give graduate students an opportunity to come to LLNL for 8–10 weeks of hands-on research. Students conduct research under the supervision of a staff scientist, attend a weekly lecture series, interact with other students, and present their work in poster format at the end of the program. Students also have the opportunity to meet staff scientists one-on-one, participate in LLNL facility tours (e.g., the National Ignition Facility and Center for Accelerator Mass Spectrometry), and gain a better understanding of the various science programs at LLNL. Due to the travel and access restrictions imposed by the COVID-19 pandemic, the 2020 NS 3 IP was organized as an “all-virtual” internship program. With LLNL’s extensive institutional support, students accessed the laboratory’s cyberinfrastructure through a secure virtual desktop environment and all seminars, mentor interactions, summer presentations, and laboratory tours were performed remotely. While this virtual internship format did not allow for hands-on laboratory research projects, both the interns and their mentors constructed creative research projects that maximized student exposure to nuclear science research that is relevant to DTRA and LLNL interests in nuclear security.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗