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At least 937 records · Page 52

Novel High Efficient Organic Photovoltaic Materials: Appendix for Summary of Research

There are many different kinds of conjugated polymers that may be useful in photovoltaic devices. So far, the most popular and successful conjugated polymers used in photovoltaic devices include poly(1,4-)phenylenevinylenes (PPV), C60 and their derivatives. The discovery of electro-luminescence in PPV has stimulated a great deal of interest in developing "plastic" solid-state semiconductor devices. The overall synthetic methodology for the preparation of PPV can be divided into three main categories: (1) side chain derivatization, (2) precursor approach, and (3) in-situ polymerization. In this project, the first method was adopted. As discussed in project proposal and literatures, the overall efficiency of photovoltaic devices containing conjugated polymers is determined by the materials ability to generate excitons from incoming radiation, and then to separate the charges at donor/acceptor interfaces, and then to transport charges to respective electrodes. Given that effective exciton diffusion range are typical less then 30 nm, unique morphological structures are needed. This need led to several research groups to the idea that interpenetrating or bi-continuous networks of donor (electron donating) and acceptor (electron withdrawing) polymers should give better results. One approach involved the use of functionalized PPV. The attachment of electron withdrawing cyano groups to a PPV forms the CN-PPV, making it a strong electron acceptor. Underivatized PPV is a generally considered a hole-transporting material. Using blends of MEH-PPV, a soluble donor PPV derivative, as a hole transporter and CN-PPV as an electron transporter, a quantum efficiencies of up to 6% was achieved.

Sun, Sam↗

Utilizing coal-derived solid carbon materials towards next-generation smart and multifunction pavements

This project focused on developing an eco-friendly, multifunctional pavement system, called Coal-Derived Carbon Enabled Smart Pavement (CDC-SP), using coal-derived materials. The system utilizes coal-derived pyrolyzed char as a key component to create electrically conductive asphalt concrete for smart pavements that offer self-heating, self-sensing, and self-healing capabilities. These functions are made possible by the conductive properties of coal-char, which enable Ohmic heating for snow and ice deicing, piezoresistivity for self-sensing, and induction heating for self-healing of cracks caused by stress or aging. The team successfully created CDC-SP samples with over 50% coal char composition, demonstrating desirable mechanical properties such as rutting resistance, moisture susceptibility, and cracking resistance. These samples also exhibited strong electrical and thermal conductivity, making them ideal for heating applications. Extensive tests confirmed the pavement’s effectiveness in melting ice and snow and maintaining durability under environmental conditions. The CDC-SP presents a promising approach to integrating U.S. domestic coal resources into infrastructure projects, providing environmental and economic benefits by enhancing pavement performance while utilizing low-cost coal-derived materials. Further research and compliance with industry standards are recommended before commercial scaling.

01 COAL, LIGNITE, AND PEAT↗

Accelerator Technologies and Science: Progress and Outlook

For over half a century, high-energy particle accelerators play a key role and shape modern nuclear and particle physics, they are also the instruments at the forefront of research for material science and biology. The physics needs continuously push us to invent novel ways to increase energy and improve the performance of accelerators, reduce their cost and make them more power-efficient. Here we briefly overview the most notable accelerator facilities which recently became operational and are now employed for research in nuclear physics, basic energy sciences, neutrinos, high energy particle frontier. We also present upcoming and planned future facilities and outline their main goals, challenges, and required R&D. Focus will be given to the core accelerator technologies such as magnets, RF acceleration, and targets as we as leading beam physics developments such as beam cooling, colliding beams and plasma acceleration.

Shiltsev, Vladimir D.↗

Materials Science Work at NASA Ames Research Center

The paper discusses the following: Thermal Protection System -TPS development and testing; Material for the shuttle; Ablators; Coating; Integrated vehicle health management; Sharp leading edges.

Kuhns, Joy B.↗

A Multilevel Approach To Addressing Emerging Technologies In Nuclear Security

Emerging technologies present a unique set of challenges to operators and regulators. Although emerging technologies can be used to strengthen nuclear security systems, they also can increase risks to nuclear facilities. The disruptive nature of emerging technologies could also leave operators unprepared for threats to nuclear materials or facilities. To address the potentially dangerous consequences associated with these innovations, strong adaptive mechanisms and international cooperation on threat mitigation and technological integration are vital. This paper examines the nuclear security implications of emerging technologies from an institutional (as opposed to technology-specific) perspective. Drawing on insights from a recent workshop series hosted by the Stimson Center and the National Nuclear Security Administration’s Office of Global Material Security, as well as research funded by Global Material Security and separate research conducted by Stimson, the paper begins with a definition of emerging technology that bounds the scope of the problem while leaving some margin for expert interpretation. The subsequent sections highlight the challenges as well as potential benefits that these technologies pose at each level of the nuclear security establishment, from the operators of sites hosting radiological or nuclear material, to regulators and national policy makers, to international institutions. Each section also includes specific recommendations for incorporating emerging technologies into radiological and nuclear security planning.

Andrews, Ian↗

NASA Sponsored Research Involving Crystallization of Biological Materials

An overview of NASA's plans for the performing experiments involving the crystallization of biological materials on the International Space Station (ISS) is presented. In addition, a brief overview of past work is provided as background. Descriptions of flight hardware currently available for use on the ISS are given and projections of future developments are discussed. In addition, experiment selection and funding is described. As of the flight of STS-95, these crystallization projects have proven to be some of the most successful in the history of microgravity research. The NASA Microgravity Research Division alone has flown 185 different proteins, nucleic acids, viruses, and complexes on 43 different missions. 37 of the 185 have resulted, in, diffraction patterns with higher resolution than was obtained in all previous ground based experiments. This occurred despite the fact that an average of only 41 samples per protein were flown. A number of other samples have shown improved signal to noise characteristics, i.e. relative Wilson plots, when compared to the best ground experiments. In addition, a number of experiments investigating the effects of microgravity conditions on the crystallization of biological material have been conducted.

Downey, James Patton↗

III-V semiconductor solid solution single crystal growth

The feasibility and desirability of space growth of bulk IR semiconductor crystals for use as substrates for epitaxial IR detector material were researched. A III-V ternary compound (GaInSb) and a II-VI binary compound were considered. Vapor epitaxy and quaternary epitaxy techniques were found to be sufficient to permit the use of ground based binary III-V crystals for all major device applications. Float zoning of CdTe was found to be a potentially successful approach to obtaining high quality substrate material, but further experiments were required.

Gertner, E. R.↗

Clean Hydrogen: Energy Carrier, Renewables Enabler, and Sector Coupler to Accelerate the Energy Transition and Meet Climate Goals

Comprehensive, concerted efforts supported by the U.S. Department of Energy (DOE), Office of Energy Efficiency and Renewable Energy (EERE), Hydrogen and Fuel Cell Technologies Office (HFTO) are advancing research and development to demonstrate clean hydrogen production and industrial decarbonization pathways. These pathways enable an economically competitive and environmentally beneficial future energy system across sectors and can address specific applications that are difficult to decarbonize. Initiatives include the Hydrogen Energy Earthshot, H2@Scale, National Clean Hydrogen Strategy and Roadmap, H2NEW: Hydrogen from Next-generation Electrolyzers of Water Consortium, HydroGEN: Advanced Water Splitting Materials Consortium, BioH2 Consortium, HyMARC Hydrogen Materials Advanced Research Consortium, and M2FCT: Million Mile Fuel Cell Truck Consortium.

clean hydrogen↗

Development of a material property database on selected ceramic matrix composite materials

Ceramic Matrix Composites, with fiber/whisker/particulate reinforcement, possess the attractive properties of ceramics such as high melting temperature, high strength and stiffness at high temperature, low density, excellent environmental resistance, combined with improved toughness and mechanical reliability. These unique properties have made these composites an enabling technology for thermomechanically demanding applications in high temperature, high stress and aggressive environments. On a broader scale, CMC's are anticipated to be applicable in aircraft propulsion, space propulsion, power and structures, in addition to ground based applications. However, it is also true that for any serious commitment of the material toward any of the intended critical thermo-mechanical applications to materialize, vigorous research has to be conducted for a thorough understanding of the mechanical and thermal behavior of CMC's. The high technology of CMC'S is far from being mature. In view of this growing need for CMC data, researchers all over the world have found themselves drawn into the characterization of CMC's such as C/SiC, SiC/SiC, SiC/Al203, SiC/Glass, SiC/C, SiC/Blackglas. A significant amount of data has been generated by the industries, national laboratories and educational institutions in the United States of America. NASA/Marshall Space Flight Center intends to collect the 'pedigreed' CMC data and store those in a CMC database within MAPTIS (Materials and Processes Technical Information System). The task of compilation of the CMC database is a monumental one and requires efforts in various directions. The project started in the form of a summer faculty fellowship in 1994 and has spilled into the months that followed and into the summer faculty fellowship of 1995 and has the prospect of continuing into the future for a healthy growth, which of course depends to a large extent on how fast CMC data are generated. The 10-week long summer fellowship has concentrated, basically, on establishing the procedure for a smooth transfer of data into a CMC database on MAPTIS which is a vital part of the following broader picture of the project.

Mahanta, Kamala↗

Natural Resources Assessment for the SNS Second Target Station, Oak Ridge, Tennessee

The US Department of Energy’s Oak Ridge National Laboratory (ORNL) is a leading institution in advanced materials, supercomputing, neutrons, and nuclear science. As a research laboratory managed by UT-Battelle, LLC for DOE, ORNL has national priorities in energy, security, and scientific discovery that necessitate facility improvements and expansions. DOE is also committed to environmental stewardship. The laboratory is located on the ~32,000-acre Oak Ridge Reservation (ORR), much of which is categorized as a National Environmental Research Park and a state Wildlife Management Area. DOE works with the Tennessee Wildlife Resources Agency (TWRA), Tennessee Department of Environment and Conservation (TDEC), US Fish and Wildlife Service (USFWS), US Department of Agriculture, and other agencies to serve as an effective steward of the ORR. Accordingly, project managers must conform to environmental regulations, agreements, and policies at the federal, state, and institutional levels. Per 40 CFR (Code of Federal Regulations) 1508.14, potential effects on research and science education on the National Environmental Research Park represent potential impacts of federal actions. Moreover, federal actions that affect the quantity and quality of hunting opportunities and deer reduction harvest on the Oak Ridge Wildlife Management Area must be considered whenever other aspects of the human environment (as defined by NEPA) are affected. The Spallation Neutron Source (SNS) is a premiere facility at ORNL that provides advanced capabilities in neutron scattering to promote new discoveries and research opportunities in material sciences, physics, chemistry, biological sciences, and others. A conceptual design for a Second Target Station (STS) has been in consideration for several years. The STS is intended to complement and enhance existing ORNL capabilities, notably research and exploration of complex materials. The proposed STS will involve development of existing natural areas on the ORR, which might contain sensitive resources that require mitigation or avoidance in accordance with existing policies and regulation. This report summarizes current knowledge of natural and cultural resources within the STS project area. At the time of this report, the proposed STS project consisted of an operations area comprising 55.4 acres (22.4 ha) and a total review area for potential construction comprising ~224 acres (90.6 ha). The review area is located primarily within forested natural areas of the ORR with minor development in the form of power-line rights-of-way and secondary/graveled roads (Figure 1). The primary goal was to evaluate potential effects on sensitive resources that might result from development of the STS. In addition to onthe-ground surveys during summer 2009 and fall 2019 to summer 2020 by ORNL Natural Resources Management Program and Aquatic Ecology Group staff, this report makes use of historical (pre-1995) and contemporary (1995 to present) data from additional confirmed sources (e.g., TDEC). Likewise, forest conditions were compiled primarily from a 2013 forest inventory effort for Forest Management Compartment 17 and supplemented with limited ground observations in 2019. The individuals who obtained and compiled the data that are presented here are familiar with and routinely assess sensitive resources on the ORR.

54 ENVIRONMENTAL SCIENCES↗

Crystal Growth of Ternary Compound Semiconductors in Low Gravity Environment

A low gravity material experiment will be performed in the Material Science Research Rack (MSRR) on International Space Station (ISS). There are two sections of the flight experiment: (I) crystal growth of ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, by physical vapor transport (PVT) and (II) melt growth of CdZnTe by directional solidification. The main objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the grown crystals as results of buoyancy-driven convection and growth interface fluctuations caused by irregular fluid-flows on Earth. The investigation consists of extensive ground-based experimental and theoretical research efforts and concurrent flight experimentation. This talk will focus on the ground-based studies on the PVT crystal growth of ZnSe and related ternary compounds. The objectives of the ground-based studies are (1) obtain the experimental data and conduct the analyses required to define the optimum growth parameters for the flight experiments, (2) perfect various characterization techniques to establish the standard procedure for material characterization, (3) quantitatively establish the characteristics of the crystals grown on Earth as a basis for subsequent comparative evaluations of the crystals grown in a low-gravity environment and (4) develop theoretical and analytical methods required for such evaluations. ZnSe and related ternary compounds have been grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals have been characterized extensively by various techniques to correlate the grown crystal properties with the growth conditions.

Su, Ching-Hua↗

Beyond Idealized Models of Nanoscale Metal Hydrides for Hydrogen Storage

Metal hydrides are attractive for compact, low-pressure hydrogen storage, yet a foundational understanding of factors governing their thermodynamics and kinetics is still lacking. Predictive modeling from the atomic to the microstructural scale plays a critical role in addressing these gaps, particularly for nanoscale materials, which promise improved performance but are difficult to probe. In this paper, we summarize strategies being developed within the Hydrogen Materials—Advanced Research Consortium (HyMARC) for going beyond conventional models to incorporate more complex physics, more realistic structures, and better approximation of operation conditions in simulations of nanoscale metal hydrides. We highlight four beyond-ideal factors that influence predicted performance: (1) surface anharmonic dynamics, (2) interface and surface energy penalties, (3) mechanical stress under confinement, and (4) the presence of native surface oxide. Approaches for addressing these factors are demonstrated on model materials representative of high-capacity hydrogen storage systems, and implications for understanding performance under operating conditions are discussed.

08 HYDROGEN↗

The 2020 Skyrmionics Roadmap

The notion of non-trivial topological winding in condensed matter systems represents a major area of present-day theoretical and experimental research. Magnetic materials offer a versatile platform that is particularly amenable for the exploration of topological spin solitons in real space such as skyrmions. First identified in non-centrosymmetric bulk materials, the rapidly growing zoology of materials systems hosting skyrmions and related topological spin solitons includes bulk compounds, surfaces, thin films, heterostructures, nano-wires and nano-dots. This underscores an exceptional potential for major breakthroughs ranging from fundamental questions to applications as driven by an interdisciplinary exchange of ideas between areas in magnetism which traditionally have been pursued rather independently. The skyrmionics roadmap provides a review of the present state of the art and the wide range of research directions and strategies currently under way. These are, for instance, motivated by the identification of the fundamental structural properties of skyrmions and related textures, processes of nucleation and annihilation in the presence of non-trivial topological winding, an exceptionally efficient coupling to spin currents generating spin transfer torques at tiny current densities, as well as the capability to purpose- design broad-band spin dynamic and logic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Ionic Polymers Under Dynamic Conditions

Combining neutron scattering tools and exascale molecular dynamics simulations, research was carried out to resolve the structure and motion of ionic polymers under dynamic conditions. Ionizable polymers constitute a key component in current and potential transformative lightweight energy generation and storage devices. However, the inherent segregation of these polymers to ionic clusters and non-ionic domains, or clusters, that on one hand enables their function, confines the dynamics of the polymer chains, leading to the formation of far-from equilibrium states. These non-equilibrium states morph under in situ conditions, affecting the performance-longevity-safety-cost foundation that underlines the use of these polymers. On route to controlling the assemblies of ionizable polymers into stable functional materials, the research focused on a) understanding the inherent confinement of the polymer chains by the ionic clusters and b) resolving of the response of these polymers to flow fields that are integral to the processing and function of these macromolecules.

36 MATERIALS SCIENCE↗

Accounting for the dispersion in the x ray properties of early-type galaxies

The x ray luminosities of early-type galaxies are correlated with their optical (e.g., blue) luminosities (L sub X approx. L sub B exp 1.6), but the x ray luminosities exhibit considerable scatter for a given optical luminosity L sub B. This dispersion in x ray luminosity is much greater than the dispersion of other properties of early-type galaxies (for a given L sub B), such as luminosity scale-length, velocity dispersion, color, and metallicity. Here, researchers consider several possible sources for the dispersion in x ray luminosity. Some of the scatter in x ray luminosity may result from stellar population variations between galaxies with similar L sub B. Since the x ray emitting gas is from accumulated stellar mass loss, the L sub X dispersion may be due to variations in integrated stellar mass loss rates. Another possible cause of the L sub X dispersion may be variations in the amount of cool material in the galaxies; cool gas may act as an energy sink for the hot gas. Infrared emission may be used to trace such cool material, so researchers look for a correlation between the infrared emission and the x ray emission of early-type galaxies at fixed L sub B. Velocity dispersion variations between galaxies of similar L sub B may also contribute to the L sub X dispersion. The most likely a priori source of the dispersion in L sub X is probably the varying amount of ram-pressure stripping in a range of galaxy environments. The hot gaseous halos of early-type galaxies can be stripped in encounters with other galaxies or with ambient cluster gas if the intracluster gas is sufficiently dense. Researchers find that the most likely cause of dispersion in the x ray properties of early type galaxies is probably the ram-pressure stripping of gaseous halos from galaxies. For a sample of 81 early-type galaxies with x ray luminosities or upper limits derived from Einstein Observatory observations (CFT) researchers calculated the cumulative distribution of angular distances between the x ray sample members and bright galaxies from the Revised Shapley - Ames catalog. Collectively, galaxies with low x ray luminosities (for a given L sub B) tend to be in denser environments than galaxies with higher x ray luminosities.

White, Raymond E., III↗

LWRS 2019 Accomplishments Report

Nuclear energy is an important part of supplying our nation’s energy—safely, dependably, and economically—with reduced carbon dioxide emissions. The United States (U.S.) Department of Energy-Office of Nuclear Energy (DOE-NE) supports a strong and viable domestic nuclear industry. In collaboration with industry programs, the Light Water Reactor Sustainability (LWRS) Program supports the continued operation of the commercial fleet of nuclear power plants. DOE’s role in this program focuses on enhancing the safe, efficient, and economical performance of the nation’s nuclear fleet. This report describes the accomplishments of the LWRS Program during Fiscal Year 2019. DOE-NE’s0F primary mission is to advance nuclear power as a resource capable of making major contributions in meeting the nation’s energy supply, environmental, and energy security needs. Under the guidance of three research objectives, NE resolves barriers to technical, cost, safety, security, and proliferation resistance through early stage research, development, and demonstration (RD&D) to: • Enhance the long-term viability and competitiveness of the existing U.S. reactor fleet • Develop an advanced reactor pipeline • Implement and maintain national strategic fuel-cycle and supply-chain infrastructures.

42 ENGINEERING↗

Sustainable materials acceleration platform reveals stable and efficient wide-bandgap metal halide perovskite alloys

The vast chemical space of emerging semiconductors, like metal halide perovskites, and their varied requirements for semiconductor applications have rendered trial-and-error environmentally unsustainable. Here, in this work, we demonstrate RoboMapper, a materials acceleration platform (MAP), that achieves 10-fold research acceleration by formulating and palletizing semiconductors on a chip, thereby allowing high-throughput (HT) measurements to generate quantitative structure-property relationships (QSPRs) considerably more efficiently and sustainably. We leverage the RoboMapper to construct QSPR maps for the mixed ion FA 1-y Cs y Pb(I 1-x Br x ) 3 halide perovskite in terms of structure, bandgap, and photostability with respect to its composition. We identify wide-bandgap alloys suitable for perovskite-Si hybrid tandem solar cells exhibiting a pure cubic perovskite phase with favorable defect chemistry while achieving superior stability at the target bandgap of ~1.7 eV. RoboMapper’s palletization strategy reduces environmental impacts of data generation in materials research by more than an order of magnitude, paving the way for sustainable data-driven materials research.

36 MATERIALS SCIENCE↗