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DOE OSTI2015

Probing Complexity using the Linac Coherent Light Source (LCLS) and the Advanced Light Source (ALS)

The goal of our research program is to investigate fundamental interactions between photons and molecular/nano-systems to advance our quantitative understanding of electron correlations, charge transfer and many body phenomena. Our research projects focus on probing, on a femtosecond time-scale, multi-electron interactions and tracing nuclear motion in order to understand, and ultimately control energy flow and charge transfer processes from electromagnetic radiation to matter. The experiments will be carried out with state of the art instrumentation built by the P.I. team with funds from a DoE "Single Investigator and Small Group Research" (SISGR) grant. The research projects carried out the past three years consisted of first experiments using the Linac Coherent Light Source (LCLS) x-ray free electron laser (FEL) facility at the SLAC National Laboratory, as well as the study of correlated processes in select anions using the Advanced Light Source (ALS). A report for the past cycle is described in section II. These studies have paved the way for our renewal application for the next three years. Our research interests for the next three years extend our past and present research by carrying out time-resolved measurements described in section III. They will consist of: a) The study of molecular dynamics that happen on ultrafast time scales, using pump-probe schemes and the study of non-linear physics in the x-ray regime via multi-photon absorption from the LCLS. This will be achieved by measuring and examining both electronic and nuclear dynamics subsequent to the interaction of molecules and nano-systems with LCLS pulses of various wavelength, intensity and pulse duration as described in section III.A. b) The study of molecular dynamics and correlated processes via absorption of vuv-soft x-rays from the Advanced Light Source (ALS) at Lawrence Berkeley Laboratory to provide single-photon ionization baseline results for LCLS studies. In addition, we will study the photodetachment of anions using the ALS as described in section III. B. The PI has an ALS approved program (AP) thus has guaranteed beamtime. Our research underpins several aspects of the DOE mission since our investigations of the formation and evolution of energized states in molecules and nanostructures provides a fundamental basis for understanding elementary processes in solar energy conversion and radiation-induced chemistry. Most of our work is carried out in a strong partnership with theorists. Our proposed work falls in the class of research reported to be timely and necessary by the 2013 DoE Basic Energy Sciences Advisory Committee (BESAC) Subcommittee report on Future X-ray Light Sources. Specifically, our proposed experiments fall in the category labeled class II, “Spectroscopy and Dynamics with FELs”.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2014

Smart Grid Information Clearinghouse (SGIC)

Since the Energy Independence and Security Act of 2007 was enacted, there has been a large number of websites that discusses smart grid and relevant information, including those from government, academia, industry, private sector and regulatory. These websites collect information independently. Therefore, smart grid information was quite scattered and dispersed. The objective of this work was to develop, populate, manage and maintain the public Smart Grid Information Clearinghouse (SGIC) web portal. The information in the SGIC website is comprehensive that includes smart grid information, research & development, demonstration projects, technical standards, costs & benefit analyses, business cases, legislation, policy & regulation, and other information on lesson learned and best practices. The content in the SGIC website is logically grouped to allow easily browse, search and sort. In addition to providing the browse and search feature, the SGIC web portal also allow users to share their smart grid information with others though our online content submission platform. The Clearinghouse web portal, therefore, serves as the first stop shop for smart grid information that collects smart grid information in a non-bias, non-promotional manner and can provide a missing link from information sources to end users and better serve users’ needs. The web portal is available at www.sgiclearinghouse.org. This report summarizes the work performed during the course of the project (September 2009 – August 2014). Section 2.0 lists SGIC Advisory Committee and User Group members. Section 3.0 discusses SGIC information architecture and web-based database application functionalities. Section 4.0 summarizes SGIC features and functionalities, including its search, browse and sort capabilities, web portal social networking, online content submission platform and security measures implemented. Section 5.0 discusses SGIC web portal contents, including smart grid 101, smart grid projects, deployment experience (i.e., use cases, lessons learned, cost-benefit analyses and business cases), in-depth information (i.e., standards, technology, cyber security, legislation, education and training and demand response), as well as international information. Section 6.0 summarizes SGIC statistics from the launch of the portal on July 07, 2010 to August 31, 2014. Section 7.0 summarizes publicly available information as a result of this work.

Rahman, Saifur↗

DOE OSTI2015

Battery Test Manual For Electric Vehicles, Revision 3

This battery test procedure manual was prepared for the United States Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy (EERE), Vehicle Technologies Office. It is based on technical targets for commercial viability established for energy storage development projects aimed at meeting system level DOE goals for Electric Vehicles (EV). The specific procedures defined in this manual support the performance and life characterization of advanced battery devices under development for EVs. However, it does share some methods described in the previously published battery test manual for plug-in hybrid electric vehicles. Due to the complexity of some of the procedures and supporting analysis, future revisions including some modifications and clarifications of these procedures are expected. As in previous battery and capacitor test manuals, this version of the manual defines testing methods for full-size battery systems, along with provisions for scaling these tests for modules, cells or other subscale level devices. The DOE-United States Advanced Battery Consortium (USABC), Technical Advisory Committee (TAC) supported the development of the manual. Technical Team points of contact responsible for its development and revision are Chul Bae of Ford Motor Company and Jon P. Christophersen of the Idaho National Laboratory. The development of this manual was funded by the Unites States Department of Energy, Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office. Technical direction from DOE was provided by David Howell, Energy Storage R&D Manager and Hybrid Electric Systems Team Leader. Comments and questions regarding the manual should be directed to Jon P. Christophersen at the Idaho National Laboratory (jon.christophersen@inl.gov).

25 ENERGY STORAGE↗

DOE OSTI2014

Advanced Envelope Research for Factory Built Housing, Phase 3. Design Development and Prototyping

The Advanced Envelope Research effort will provide factory homebuilders with high performance, cost-effective alternative envelope designs. In the near term, these technologies will play a central role in meeting stringent energy code requirements. For manufactured homes, the thermal requirements, last updated by statute in 1994, will move up to the more rigorous IECC 2012 levels in 2013, the requirements of which are consistent with site built and modular housing. This places added urgency on identifying envelope technologies that the industry can implement in the short timeframe. The primary goal of this research is to develop wall designs that meet the thermal requirements based on 2012 IECC standards. Given the affordable nature of manufactured homes, impact on first cost is a major consideration in developing the new envelope technologies. This work is part of a four-phase, multi-year effort. Phase 1 identified seven envelope technologies and provided a preliminary assessment of three selected methods for building high performance wall systems. Phase 2 focused on the development of viable product designs, manufacturing strategies, addressing code and structural issues, and cost analysis of the three selected options. An industry advisory committee helped critique and select the most viable solution to move further in the research -- stud walls with continuous exterior insulation. Phase 3, the subject of the current report, focused on the design development of the selected wall concept and explored variations on the use of exterior foam insulation. The scope also included material selection, manufacturing and cost analysis, and prototyping and testing.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2014

Advanced Envelope Research for Factory Built Housing, Phase 3. Whole-House Prototyping

The Advanced Envelope Research effort will provide factory homebuilders with high performance, cost-effective envelope designs that can be effectively integrated into the plant production process while meeting the thermal requirements of the 2012 IECC standards. This work is part of a multiphase effort. Phase 1 identified seven envelope technologies and provided a preliminary assessment of three methods for building high performance walls. Phase 2 focused on developing viable product designs, manufacturing strategies, addressing code and structural issues, and cost analysis of the three selected options. An industry advisory committee helped narrow the research focus to perfecting a stud wall design with exterior continuous insulation (CI). This report describes Phase 3, which was completed in two stages and continued the design development effort, exploring and evaluating a range or methods for applying CI to factory built homes. The scope also included material selection, manufacturing and cost analysis, and prototyping and testing. During this phase, a home was built with CI, evaluated, and placed in service. The experience of building a mock up wall section with CI and then constructing on line a prototype home resolved important concerns about how to integrate the material into the production process. First steps were taken toward finding least expensive approaches for incorporating CI in standard factory building practices and a preliminary assessment suggested that even at this early stage the technology is attractive when viewed from a life cycle cost perspective.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2012

Summer institute of sustainability and energy

The vision for the Summer Institute on Sustainability and Energy (SISE) is to integrate advancements in basic energy sciences with innovative energy technologies to train the next generation of interdisciplinary scientists and policy makers for both government and industry. Through BES related research, these future leaders will be equipped to make educated decisions about energy at the personal, civic, and global levels in energy related fields including science, technology, entrepreneurship, economics, policy, planning, and behavior. This vision explicitly supports the 2008 report by the Department of Energy’s Basic Energy Science Advisory Committee (2), which outlines scientific opportunities and challenges to achieve energy security, lower CO 2 emissions, reduce reliance on foreign oil and create enduring economic growth through discovery, development and the marketing of new technologies for sustainable energy production, delivery, and use (3).

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2015

Utilizing plasma physics to create biomolecular movies

In spring of 2000, the LCLS Scientific Advisory Committee selected the top scientific experiments for LCLS. One of the proposed flagship experiments is atomic-resolution three-dimensional structure determination of isolated biolgical macromolecules and particles, with the ultimate goal of obtaining molecular (snapshot) movies. The key enabling insight was that radiation damage may be overcome by using x-ray pulses that are shorter than the time it takes for damage to manifest itself.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2016

Final Report Extreme Computing and U.S. Competitiveness DOE Award. DE-FG02-11ER26087/DE-SC0008764

The Council has acted on each of the grant deliverables during the funding period. The deliverables are: (1) convening the Council’s High Performance Computing Advisory Committee (HPCAC) on a bi-annual basis; (2) broadening public awareness of high performance computing (HPC) and exascale developments; (3) assessing the industrial applications of extreme computing; and (4) establishing a policy and business case for an exascale economy.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Final Report for Project. Quark matter under extreme conditions

The results obtained in the two years of the grant have served to shine new light on several important questions about the phases of quantum chromodynamics (QCD) under extreme conditions that include quark matter at high density, as well quark-gluon plasma at high temperatures, both in the presence of strong magnetic fields. The interest in including an external magnetic field on these studies is motivated by the generation of large magnetic fields in off-central heavy-ion collisions and by their common presence in astrophysical compact objects, the two scenarios where the physics of quark matter becomes relevant. The tasks carried out in this DOE project led us, among other things, to discover the first connection between the physics of very dense quark matter and novel materials as for instance topological insulators and Weyl semimetals; they allowed us to find a physical explanation for and a solution to a standing puzzle in the apparent effect of a magnetic field on the critical temperature of the QCD chiral transition; and they led us to establish by the first time that the core of the observed two-solar-mass neutron stars could be made up of quark matter in certain inhomogeneous chiral phases in a magnetic field and that this was consistent with current astrophysical observations. A major goal established by the Nuclear Science Advisory committee in its most recent report “Reaching for the Horizon” has been “to truly understand how nuclei and strongly interacting matter in all its forms behave and can predict their behavior in new settings.” The results found in this DOE project have all contributed to address this goal, and thus they are important for advancing fundamental knowledge in the area of nuclear physics and for enhancing our understanding of the role of strong magnetic fields in the two settings where they are most relevant, neutron stars and heavy-ion collisions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2016

2014 Fermilab Laboratory Directoed Research \& Development Annual Report

After initiation by the Fermilab Laboratory Director, a team from the senior Laboratory leadership and a Laboratory Directed Research and Development (LDRD) Advisory Committee developed an implementation plan for LDRD at Fermilab for the first time. This implementation was captured in the approved Fermilab 2014 LDRD Program Plan and followed directions and guidance from the Department of Energy (DOE) order, DOE O 413.2B, a “Roles, Responsibilities, and Guidelines, …” document, and examples of best practices at other DOE Office of Science Laboratories. At Fermilab, a FY14 midyear Call for Proposals was issued. A LDRD Selection Committee evaluated those proposals that were received and provided a recommendation to the Laboratory Director who approved seven LDRD projects. This Annual Report focuses on the status of those seven projects and provides an overview of the current status of LDRD at Fermilab. The seven FY14 LDRD approved projects had a date of initiation late in FY14 such that this report reflects approximately six months of effort approximately through January 2015. The progress of these seven projects, the subsequent award of six additional new projects beginning in FY15, and preparations for the issuance of the FY16 Call for Proposals indicates that LDRD is now integrated into the overall annual program at Fermilab. All indications are that LDRD is improving the scientific and technical vitality of the Laboratory and providing new, novel, or cutting edge projects carried out at the forefront of science and technology and aligned with the mission and strategic visions of Fermilab and the Department of Energy.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2016

ER@CEBAF: A test of 5-pass energy recovery at CEBAF

Jefferson Lab personnel have broad expertise in the design, commissioning, and operation of multiple energy recovery linacs (ERLs): the CEBAF Front-End Test (early 1990s), CEBAF-ER (2003), the IR Free Electron Laser (FEL) Demo, the IR FEL Upgrade, and the UV FEL Driver (1997-2014). Continued development of this core competency has led to this collaborative proposal to explore the forefronts of ERL technology at high energy in a unique expansion of CEBAF capability to a 5-pass ERL with negligible switchover time and programmatic impact to the CEBAF physics program. Such a capability would enable world-class studies of open issues in high-energy ERL beam dynamics that are relevant to future facilities such as electron-ion colliders (EICs). This proposal requests support from the CEBAF Program Advisory Committee to seek funding for hardware installation, and a prospective 12 days of beam time circa Fall 2018 for commissioning this high-energy multi-pass ERL experiment in CEBAF.

43 PARTICLE ACCELERATORS↗

DOE OSTI2017

Bethe, Oppenheimer, Teller and the Fermi Award: Norris Bradbury Speaks

In 1956 the Enrico Fermi Presidential Award was established to recognize scientists, engineers, and science policymakers who gave unstintingly over their careers to advance energy science and technology. The first recipient was John von Neumann. .1 Among those scientists who were thought eligible for the award were Hans Bethe, J. Robert Oppenheimer, and Edward Teller. In 1959 Norris Bradbury was asked to comment on the relative merits of each these three men, whom he knew well from their affiliation with Los Alamos. Below is a reproduction of the letter Bradbury sent to Dr. Warren C. Johnson of the AEC’s General Advisory Committee(GAC) containing his evaluation of each man. The letter might surprise those not accustomed to Bradbury’s modus operandi of providing very detailed and forthright answers to the AEC. The letter, itself, was found in cache of old microfilm. Whether because of the age of the microfilm or the quality of the filming process, portions of the letter are not legible. Where empty brackets appear, the word or words could not be read or deduced. Words appearing in brackets are guesses that appear, from the image, to be what was written. These guesses, of course, are just that – guesses.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2017

Precision Tests of the Electroweak Interaction using Trapped Atoms and Ions

The objective of the proposed research is to study fundamental aspects of the electroweak interaction via precision measurements in beta decay to test our current understanding of fundamental particles and forces as contained in the so-called "Standard Model" of particle physics. By comparing elegant experiments to rigorous theoretical predictions, we will either confirm the Standard Model to a higher degree and rule out models which seek to extend it, or find evidence of new physics and help guide theorists in developing the New Standard Model. The use of ion and neutral atom traps at radioactive ion beam facilities has opened up a new vista in precision low-energy nuclear physics experiments. Traps provide an ideal source of decaying atoms: they can be extremely cold (~1 mK); they are compact (~1 mm^3); and perhaps most importantly, the daughter particles escape with negligible distortions to their momenta in a scattering-free, open environment. The project is taking advantage of these technologies and applying them to precision beta-decay studies at radioactive beam facilities. The program consists of two complementary efforts: 1) Ion traps are an extremely versatile tool for purifying, cooling and bunching low-energy beams of short-lived nuclei. A large-bore (210~mm) superconducting 7-Tesla solenoid is at the heart of a Penning trap system for which there is a dedicated beamline at T-REX, the upgraded radioactive beam facility at the Cyclotron Institute, Texas A&M University. In addition to providing a general-purpose decay station, the flagship program for this system is measuring the ft-values and beta-neutrino correlation parameters from isospin T=2 superallowed beta-delayed proton decays, complimenting and expanding the already strong program in fundamental interactions at the Institute. 2) A magneto-optical trap is being used at the TRIUMF Neutral Atom Trap facility to observe the (un)polarized angular distribution parameters of isotopes of potassium. We are able to highly polarize laser-cooled atoms and observe their decay with unprecedented precision. The correlation of the daughter beta particle with the initial nuclear spin as well as other correlations are sensitive to physics beyond the Standard Model. Both of these cutting-edge and exciting research efforts will test our understanding of the fundamental symmetries underlying our current theory of electroweak interactions. Complementary to high-energy collider experiments, these low-energy nuclear physics "table-top" experiments will search for new particles and interactions which are not already described by the Standard Model of particle physics. The value of this research is recognized to be cross-disciplinary, exciting and potentially revolutionary in our understanding of nature's fundamental interactions. Accordingly, it has been endorsed by the recent (2007) Nuclear Science Advisory Committee's Long Range Plan as part of their recommendation for a "New Standard Model Initiative." In addition to the near-term benefits of scholarly publications and visibility through description of this work at international conferences, an important benefit of this research program is the training of new, young and enthusiastic nuclear physicists. Participants in this demanding and rewarding field develop a very strong background in physics with experience in a range of its subfields since we use atomic techniques and apply them to a nuclear physics experiment which in the end tests the theories of high-energy physics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2017

Catalytic and Transport Behaviors of Model and Porous and Composite Nanostructures

As stressed in the Basic Energy Sciences Advisory Committee (BESAC) Report “New Science for a Secure and Sustainable Energy Future” (December 2008), solving our Nation’s energy challenges will entail more than incremental changes in present materials-related technologies; new, advanced routes to nanostructured materials with transformational properties will be required. Herein we describe the design and fabrication of a hybrid biotic/abiotic membrane reactor that, mimicking natural systems, employs the metalloenzyme, carbonic anhydrase, to separate CO 2 from N 2 with unprecedented purity and rate. The membrane design, synthesis, and operation are based on multiple biomimetic and nanoscale fabrication strategies, nanoscale dimensional features, and nanoscale physical phenomena, for example: 1) Bottom-up self-assembly of a membrane comprising a periodic, aligned, cylindrical nanopore array with 8 nm diameter pores designed to accommodate carbonic anhydrase (CA) enzymes 2) Top-down Atomic Layer Deposition (ALD) and plasma processing of the nanopore array to create 18nm deep (by 8nm in diameter) superhydrophilic pores bounded by hydrophobic/superhydrophobic interfaces 3) Formation of a continuous, defect free, ultra-thin (~18-nm thick) but strong water membrane by capillary condensation within the uniformly-sized, superhydrophilic nanopore array 4) Accommodation of CA within the water filled nanopore array (~2 CAs per hydrophilic pore channel) to achieve an effective CA concentration within the 18-nm thick water membrane over 10X greater than achievable in solution Exposed to a mixture of CO 2 and N 2 this biomimetic membrane rapidly and selectively dissolves CO 2 within the CA filled water nano-channels on the ‘upstream side’ and regenerates CO 2 at the superhydrophobic interface on the ‘downstream’ side. In combination, the high CA concentration and exceptionally short diffusion distances enable rapid and highly selective CO 2 separation from N 2 and H 2 . Our membrane has a combined CO 2 flux and selectivity that exceed by orders of magnitude all existing CO 2 membranes and for the first time meet the US Department of Energy guidelines for CO 2 sequestration technologies. (The performance of our membrane was recognized by an R&D100 Award and the first R&D100 Green Technology Award in 2015 and an issued US Patent in 2017). We believe this membrane could be employed in combination with sequestration to help reduce greenhouse gas emissions and provide a viable, economically feasible pathway to achieve the goals of the 2016 Paris Accord, which aims to maintain a global temperature rise this century less than 2°C above pre-industrial levels. Further this membrane concept could be adapted to other enzymes to accomplish other separations of interest, e.g. H 2 . We also have established processing-structure-property relationships of ultrathin membrane-like monolayer materials that are intrinsically catalytic. Establishing processing-structure-property relationships for monolayer materials is crucial for a vast range of applications spanning optics, catalysis, electronics, and energy. Presently, for MoS 2 , a promising catalyst for artificial photosynthesis, considerable debate surrounds the structure/property relationships of its various allotropes. Using high-resolution transmission electron microscopy supported by density functional theory, we unambiguously solved the structure of MoS 2 monolayers and showed lithium intercalation to direct a preferential transformation of the basal plane from 2H (trigonal prismatic) to 1T’ (clustered Mo). These changes alter the energetics of MoS 2 interactions with hydrogen ((GH), and, with respect to catalysis, the 1T’ transformation renders the normally inert basal plane amenable towards hydrogen adsorption and H 2 evolution achieving Hydrogen Evolution Reaction (HER) catalytic activity comparable to 2H MoS 2 edges on Au(111), one of the most active HER catalysts known.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2016

Business Case for Nonintrusive Load Monitoring

This report explores how utilities, researchers, and consumers could benefit from a lower cost approach to submetering using non-intrusive load monitoring (NILM). NILM is a process of using data from a single point of monitoring, such as a utility smart meter, to provide an itemized accounting of end use energy consumption in residential and small commercial buildings. Pacific Northwest National Laboratory (PNNL) prepared this report for the Bonneville Power Administration (BPA). PNNL participated in an advisory group as part of a research project sponsored by the U.S. Department of Energy (DOE), the Bonneville Power Administration, and the State of Washington. The Electric Power Research Institute (EPRI) convened the advisory committee for two workshops held to identify ways in which NILM may be used. PNNL, on behalf of DOE, helped to cosponsor the first of these workshops. Results of an end-use monitoring study of a bank branch conducted by PNNL are also presented for purposes of illustrating the need for better data in energy savings modeling (DOE 2013a).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2018

Mo 99 Draft Report.

The Nuclear Science Advisory Committee (NSAC) 99 Molybdenum ( 99 Mo) Subcommittee met December 14-15, 2017 to address the charge to NSAC requesting that a fourth annual review of the National Nuclear Security Administration (NNSA) 99 Mo program be performed. The Subcommittee found that the NNSA has continued to make progress over the course of the year based on the specific American Medical Isotopes Production Act of 2012 (AMIPA) requirements.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2018

Nuclear Structure Research at Richmond (Final Report)

The activities of the Nuclear Structure Group at the University of Richmond under this award are described. Progress continued on our investigations of shape-transitional rare-earth Sm nuclei with neutron numbers close to N ~ 90 and our results were published in a comprehensive PRC article. Graduate student Peter Humby successfully defended and published his thesis. We began to investigate the properties of the high energy continuum, between 4 and 8 MeV. Progress continued on predicting gamma-ray branching ratios using the PTCRUISER code, developed by postdoc Nathan Cooper. In collaboration with Prof. Anna Simon we carried out our first experiment at Notre Dame to investigate the gamma-ray strength function in 90 Zr. Our involvement in GRETINA and work towards GRETA continued via the P.I.’s service on the Advisory Committee.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2015

Response to FESAC survey, non-fusion connections to Fusion Energy Sciences

The Fusion Energy Sciences Advisory Committee’s subcommittee on non-fusion applications (FESAC NFA) is conducting a survey to obtain information from the fusion community about non-fusion work that has resulted from their DOE funded fusion research. The subcommittee has requested that members of the community describe recent developments connected to the activities of the DOE Office of Fusion Energy Sciences. Two questions in particular were posed by the subcommittee. This document contains the authors’ responses to those questions.

99 GENERAL AND MISCELLANEOUS↗