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DOE OSTI2014

FSU High Energy Physics

The High Energy Physics group at Florida State University (FSU), which was established in 1958, is engaged in the study of the fundamental constituents of matter and the laws by which they interact. The group comprises theoretical and experimental physicists, who sometimes collaborate on projects of mutual interest. The report highlights the main recent achievements of the group. Significant, recent, achievements of the group’s theoretical physicists include progress in making precise predictions in the theory of the Higgs boson and its associated processes, and in the theoretical understanding of mathematical quantities called parton distribution functions that are related to the structure of composite particles such as the proton. These functions are needed to compare data from particle collisions, such as the proton-proton collisions at the CERN Large Hadron Collider (LHC), with theoretical predictions. The report also describes the progress in providing analogous functions for heavy nuclei, which find application in neutrino physics. The report highlights progress in understanding quantum field theory on a lattice of points in space and time (an area of study called lattice field theory), the progress in constructing several theories of potential new physics that can be tested at the LHC, and interesting new ideas in the theory of the inflationary expansion of the very early universe. The focus of the experimental physicists is the Compact Muon Solenoid (CMS) experiment at CERN. The report, however, also includes results from the D0 experiment at Fermilab to which the group made numerous contributions over a period of many years. The experimental group is particularly interested in looking for new physics at the LHC that may provide the necessary insight to extend the standard model (SM) of particle physics. Indeed, the search for new physics is the primary task of contemporary particle physics, one motivated by the need to explain certain facts, such as the non-zero neutrino masses or the overwhelming astrophysical evidence for an invisible form of matter, called dark matter, that has had a marked effect on the evolution of structure in the universe. The report highlights the main, recent, experimental achievements of the experimental group, which include the investigation of properties of the W and Z bosons; the search for new heavy stable charged particles and the search for a proposed property of nature called supersymmetry in proton-proton collisions that yield high energy photons. In addition, we report a few results from a more general search for supersymmetry at the LHC, initiated by the group. The report also highlights the group's significant contributions, both theoretical and experimental, to the 2012 discovery of the Higgs boson and the measurement of its properties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Bond-dependent anisotropy and magnon decay in cobalt-based Kitaev triangular antiferromagnet

Following tremendous success of the graphene-derived fundamental and applied research, the magnetic van der Waals materials that can be cleaved into monolayer two-dimensional atomic crystals have emerged as a new platform in the studies of low-dimensional physics and in the design of artificial heterostructures with novel properties. Because of that, the family of dihalides and trihalides of the 3d transition group receive a strong renewed interest. Together with our experimental collaborators, we have investigated the novel dynamical properties of one of such promising material CoI 2 , and demonstrated that spin excitations in it are prone to substantial breakdown and complex level repulsion, the important quantum effects whose theoretical understanding has been significantly advanced by our group in the last two decades. Both phenomena are dramatically revealed by experiments and verified by the theory in our joint study, published in Nature Physics. Altogether, our results pave the way toward a new research direction for the magnetic van der Waals materials.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Restorable Neutralization of Poly(acrylic acid) Binders toward Balanced Processing Properties and Cycling Performance for Silicon Anodes in Lithium-Ion Batteries

Neutralization of poly(acrylic acid) (PAA)-based binders using lithium hydroxide is a common strategy for fabricating silicon anode laminates, which improves rheological properties of slurries toward high-quality electrode laminates. However, the significantly increased basicity causes degradation of Si particles while the irreversible conversion of carboxylic acid groups to lithium carboxylates undermines the binding strength, collectively leading to adverse cycling performance of the fabricated Si anodes. Herein, a novel neutralization process for PAA binders is developed. A weak base, ammonia (NH 3 ), was discovered as a neutralizing agent that still promotes rheological response of binder solutions but results in a reduced pH increase. Interestingly, the resulting ammonium carboxylate groups may cleave during the drying process to restore the neutralized PAA (PAA-NH 3 ) binders to their pristine states. The best-performing composition of 50% neutralization (PAA-50%NH 3 ) provides comparable rheological response as a PAA-Li binder as well as much improved cycling performance. Additionally, the half-cells using the PAA-50%NH 3 binder can deliver 60% capacity retention over 100 cycles at C/3 rate, affording a 23.8% increase compared to PAA-Li half-cells. This restorable neutralization process of PAA binders represents an innovative strategy of mitigating issues from slurry processing of Si particles to achieve concurrent improvements in high-quality lamination and cycling performance.

25 ENERGY STORAGE↗

DOE OSTI2018

High Dielectric Constant Semiconducting Poly(3-alkylthiophene)s from Side Chain Modification with Polar Sulfinyl and Sulfonyl Groups

In this paper, there is growing interest in designing and developing high dielectric constant (ε r ) organic semiconductors because they have the potential to further enhance device performance by promoting exciton dissociation, reducing bimolecular charge carrier recombination, and potentially enhancing charge carrier mobility via charge screening. In this study, a new class of semiconducting polymers with high ε r , i.e., sulfinylated and sulfonylated poly(3-alkylthiophene)s (P3ATs), were synthesized. Because of efficient rotation of highly polar methylsulfinyl and methylsulfonyl side groups (i.e., orientational polarization), high ε r values were achieved for these functionalized P3ATs based on an accurate capacitance measurement using a gold/semiconducting polymer/SiO 2 /n-doped Si configuration. For example, the ε r at megahertz and room temperature increased from 3.75 for the regioregular poly(3-hexylthiophene) (P3HT) to 7.4 for the sulfinylated and 8.1–9.3 for sulfonylated P3AT polymers. These values are among the highest ε r reported for conjugated polymers so far. Grazing-incident wide-angle X-ray diffraction results showed that these polar groups decreased the crystallinity for the polythiophene backbones and interfered with the π–π stacking in the crystalline structure. Consequently, their optical properties, including UV–vis absorption and fluorescence, changed in thin films. From this study, the sulfinylated polymer may be promising to provide a balance between high ε r and preserving favorable polythiophene π–π stacking structure for device applications.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Manganese and Vanadium Co-Exposure Induces Severe Neurotoxicity in the Olfactory System: Relevance to Metal-Induced Parkinsonism

Chronic environmental exposure to toxic heavy metals, which often occurs as a mixture through occupational and industrial sources, has been implicated in various neurological disorders, including Parkinsonism. Vanadium pentoxide (V 2 O 5 ) typically presents along with manganese (Mn), especially in welding rods and high-capacity batteries, including electric vehicle batteries; however, the neurotoxic effects of vanadium (V) and Mn co-exposure are largely unknown. In this study, we investigated the neurotoxic impact of MnCl 2 , V 2 O 5 , and MnCl 2 -V 2 O 5 co-exposure in an animal model. C57BL/6 mice were intranasally administered either de-ionized water (vehicle), MnCl 2 (252 µg) alone, V 2 O 5 (182 µg) alone, or a mixture of MnCl 2 (252 µg) and V 2 O 5 (182 µg) three times a week for up to one month. Following exposure, we performed behavioral, neurochemical, and histological studies. Our results revealed dramatic decreases in olfactory bulb (OB) weight and levels of tyrosine hydroxylase, dopamine, and 3,4-dihydroxyphenylacetic acid in the treatment groups compared to the control group, with the Mn/V co-treatment group producing the most significant changes. Interestingly, increased levels of α-synuclein expression were observed in the substantia nigra (SN) of treated animals. Additionally, treatment groups exhibited locomotor deficits and olfactory dysfunction, with the co-treatment group producing the most severe deficits. The treatment groups exhibited increased levels of the oxidative stress marker 4-hydroxynonenal in the striatum and SN, as well as the upregulation of the pro-apoptotic protein PKCδ and accumulation of glomerular astroglia in the OB. The co-exposure of animals to Mn/V resulted in higher levels of these metals compared to other treatment groups. Taken together, our results suggest that co-exposure to Mn/V can adversely affect the olfactory and nigral systems. These results highlight the possible role of environmental metal mixtures in the etiology of Parkinsonism.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2016

Group precipitation and age hardening of nanostructured Fe-based alloys with ultra-high strengths

The precipitation of nanoparticles plays a key role in determining the properties of many structural materials, and the understanding of their formation and stabilization mechanisms has been a long standing interest in the material field. However, the critical issues involving the group precipitation of various nanoparticles and their cooperative hardening mechanism remain elusive in the newly discovered Fe-based alloys with nanostructures. Here we quantitatively elucidate the nucleation mechanism, evolution kinetics and hardening effects of the group-precipitated nanoparticles in the Fe-Cu-Ni-Al-based alloys by atom probe tomography together with both first-principles and thermodynamic calculations. Our results provide the compelling evidence for two interesting but complex group precipitation pathways of nanoparticles, i.e., the Cu-rich and NiAl-based precipitations. Lastly, the co-existence of the two precipitation pathways plays a key role in age hardening kinetics and ultimately enhances the hardening response, as compared to the single particle type of strengthening, therefore providing an effective new approach for strengthening materials for structural applications.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Easy and Enticing: How a Collaborative Approach to Emerging Technology Adoption in the Commercial Building Sector Has Made Its Mark

In 2012, the U.S. Department of Energy (DOE), in collaboration with interested partners (e.g., applicable trade groups), initiated a novel market transformation approach, technology adoption campaigns, to speed the adoption of new technologies that save energy and money in buildings—first with lighting and later with other building technologies. This approach couples technical performance evaluation, guidance, data tracking and technical assistance with recognition for exemplary performance and best practices. Campaigns can be designed around emerging technologies that have significant, cost-effective national energy savings potential and where there is strong public- and private-sector interest in sharing performance criteria and outcomes. Participants in the campaigns share project data with the national laboratories and DOE, benefit from technical support and assistance from objective experts, and highly value recognition for their accomplishments. DOE and its campaign partners benefit from accelerated adoption of new energy-saving technologies and engagement with manufacturers and end users that allows for data collection and insights into technology research needs. This paper documents the success, challenges, lessons learned, and energy and cost savings of lighting campaigns, and in many cases compares these findings with other campaign efforts. This paper also presents recommendations for how other programs of various sizes can employ this model.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2018

Easy and Enticing: How a Collaborative Approach to Emerging Technology Adoption in the Commercial Building Sector Has Made its Mark

In 2012, the U.S. Department of Energy (DOE), in collaboration with interested partners (e.g., applicable trade groups), initiated a novel market transformation approach, technology adoption campaigns, to speed the adoption of new technologies that save energy and money in buildings - first with lighting and later with other building technologies. This approach couples technical performance evaluation, guidance, data tracking and technical assistance with recognition for exemplary performance and best practices. Campaigns can be designed around emerging technologies that have significant, cost-effective national energy savings potential and where there is strong public- and private-sector interest in sharing performance criteria and outcomes. Participants in the campaigns share project data with the national laboratories and DOE, benefit from technical support and assistance from objective experts, and highly value recognition for their accomplishments. DOE and its campaign partners benefit from accelerated adoption of new energy-saving technologies and engagement with manufacturers and end users that allows for data collection and insights into technology research needs. This paper documents the success, challenges, lessons learned, and energy and cost savings of lighting campaigns, and in many cases compares these findings with other campaign efforts. This paper also presents recommendations for how other programs of various sizes can employ this model.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2018

Easy and Enticing: How a Collaborative Approach to Emerging Technology Adoption in the Commercial Building Sector Has Made Its Mark

Myer, Michael↗

NASA NTRS2017

Mouse Behavior on ISS: The Emergence of a Distinctive, Organized Group Circling Behavior Unique to Spaceflight

As interest in long duration effects of space habitation increases, understanding the behavior of model organisms living within the habitats engineered to fly them is vital for designing, validating, and interpreting future spaceflight studies. Only a handful of papers have previously reported behavior of mice and rats in the weightless environment of space (Andreev-Andrievskiy, et al., 2013; Cancedda et al., 2012; Ronca et al., 2008). The Rodent Research Hardware and Operations Validation Mission (Rodent Research-1; RR1) utilized the Rodent Habitat (RH) developed at NASA Ames Research Center to fly mice on the ISS. Ten adult (16-week-old) female C57BL6J mice were launched on September 21st, 2014 in an unmanned Dragon Capsule, and spent 37 days in flight. Here we report group behavioral phenotypes of the RR1 Flight (FLT) and environment-matched Ground Control (GC) mice in the RH during this long duration flight. Video was recorded for 34 days on the ISS, permitting daily assessments of overall health and well being of the mice, and providing a valuable repository for detailed behavioral analysis. As compared to GC mice, RR1 FLT mice exhibited the same range of behaviors, including eating, drinking, exploration, self- and allogrooming, and social interactions at similar or greater levels of occurrence. Overall activity was greater in FLT as compared to GC mice, with spontaneous ambulatory behavior, including organized circling or race-tracking behavior that emerged within the first few days of flight following a common developmental sequence, comprising the primary dark cycle activity of FLT mice. Circling participation by individual mice persisted throughout the mission. Analysis of group behavior over mission days revealed recruitment of mice into the group phenotype, coupled with decreasing numbers of collisions between circling mice. This analysis provides insights into the behavior of mice in microgravity, and clear evidence for the emergence of a distinctive, organized group behavior unique to the weightless space environment. Supported by the NASA Rodent Research Project, Space Biology Program, and Space Life Sciences Training Program.

spaceflight↗

NASA NTRS2017

Mouse Behavior on ISS: The Emergence of Distinctive, Organized Group Circling Behavior Unique to Spaceflight

As interest in long duration effects of space habitation increases, understanding the behavior of model organisms living within the habitats engineered to fly them is vital for designing, validating, and interpreting future spaceflight studies. Only a handful of papers have previously reported behavior of mice and rats in the weightless environment of space (Andreev-Andrievskiy, et al., 2013; Cancedda et al., 2012; Ronca et al., 2008). The Rodent Research Hardware and Operations Validation Mission (Rodent Research-1; RR1) utilized the Rodent Habitat (RH) developed at NASA Ames Research Center to fly mice on the ISS. Ten adult (16-week-old) female C57BL6J mice were launched on September 21st, 2014 in an unmanned Dragon Capsule, and spent 37 days in flight. Here we report group behavioral phenotypes of the RR1 Flight (FLT) and environment-matched Ground Control (GC) mice in the RH during this long duration flight. Video was recorded for 34 days on the ISS, permitting daily assessments of overall health and well being of the mice, and providing a valuable repository for detailed behavioral analysis. As compared to GC mice, RR1 FLT mice exhibited the same range of behaviors, including eating, drinking, exploration, self- and allogrooming,and social interactions at similar or greater levels of occurrence. Overallactivity was greater in FLT as compared to GC mice, with spontaneous ambulatory behavior, including organized circling or race-tracking behavior that emerged within thefirst few days of flight following a common developmental sequence, comprising theprimary dark cycle activity of FLT mice. Circling participation by individual micepersisted throughout the mission. Analysis of group behavior over mission days revealed recruitment of mice into the group phenotype, coupled with decreasing numbers of collisions between circling mice. This analysis provides insights into the behavior of mice in microgravity, and clear evidence for the emergence of a distinctive,organized group behavior unique to the weightless space environment.

mice↗

DOE OSTI2025

Recent Advances in Probing Electron Delocalization in Conjugated Molecules by Attached Infrared Reporter Groups for Energy Conversion and Storage

This review article reports an overview of the recent developments in the field of electron delocalization study in organic conjugated molecules by utilizing the vibration frequencies exhibited by the attached functional groups such as nitrile (–C≡N), alkyne (–C≡C–), or carbonyl (–C=O). A brief introduction to electron delocalization, methods for study, and their importance is given first, followed by the application of infrared spectroscopy in organic molecules. Details of molecules with various infrared reporter groups have been explained in respective subsections based on the functional groups. All the reported organic molecules have been structured and presented with the electron delocalization properties studied using an infrared reporter group. Finally, an outlook on this recently promising, exciting, and interesting field of probing electron delocalization using infrared reporter groups is provided.

25 ENERGY STORAGE↗

DOE OSTI2018

Russulaceae: a new genomic dataset to study ecosystem function and evolutionary diversification of ectomycorrhizal fungi with their tree associates

The family Russulaceae is considered an iconic lineage of mostly mushroom-forming basidiomycetes due to their importance as edible mushrooms in many parts of the world, and their ubiquity as ectomycorrhizal symbionts in both temperate and tropical forested biomes. Although much research has been focused on this group, a comprehensive or cohesive synthesis by which to understand the functional diversity of the group has yet to develop. Interest in ectomycorrhizal fungi, of which Russulaceae is a key lineage, is prodigious due to the important roles they play as plant root mutualists in ecosystem functioning, global carbon sequestration, and a potential role in technology development toward environmental sustainability. As one of the most species-diverse ectomycorrhizal lineages, the Russulaceae has recently been the focus of a dense sampling and genome sequencing initiative with the Joint Genome Institute aimed at untangling their functional roles and testing whether functional niche specialization exists for independent lineages of ectomycorrhizal fungi. In this paper, we present a review of important studies on this group to contextualize what we know about its members' evolutionary history and ecosystem functions, as well as to generate hypotheses establishing the Russulaceae as a valuable experimental system.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2024

NASA's Human Research Program: Evolving Collaborations to Enable the Future of Human Spaceflight

Since its formation in 2007, the NASA Human Research Program’s (HRP) mission has been to reduce human health and performance risks for spaceflight exploration missions. The program has achieved this mission primarily through work in ground analogs and on the International Space Station. Over the last three years, NASA overall has seen transformative changes with the flight of Artemis I, formation of the Commercial LEO Destinations Program, commercial flights to the ISS, and new International Partners participating in human spaceflight. NASA’s HRP has embraced these new opportunities and is collaborating on all these fronts to collect biomedical research data. Artemis I marked the arrival of NASA’s new human spaceflight exploration missions. NASA has developed a Moon-to-Mars Architecture to map out how it will use the moon to de-risk and enable Mars missions. NASA’s HRP is a critical component to develop and deliver research and technologies for future Artemis Crew Health and Performance (CHP) Systems. The program is working closely with NASA’s Moon-to-Mars Office to ensure CHP deliverables are ready to demonstrate on the moon, as we also look toward Mars, and is developing the partnership strategies required to support these deliverables. Commercial space flights, both free flyer and suborbital missions and private astronaut missions to the ISS, are providing broader opportunities and subjects to characterize the space-induced changes to the human system and to test countermeasures. To better use these opportunities to achieve its mission, HRP has been working to understand the commercial spaceflight companies’ needs and then partner with them on aspects of mutual interest. In addition, NASA HRP continues to engage in long-standing relationships with its international partners through the International Space Life Sciences Working Group (ISLSWG) and other joint international groups. The Program is now also interested in sharing its knowledge and ability to collaborate on projects of mutual interest with new countries developing capabilities for human spaceflight. The next 10 years will shape how humanity partners on exploration missions to Mars. NASA’s HRP is committed to enabling and developing collaborative strategies with commercial and international partners to keep humans safe and productive as we explore longer and further into space.

Jancy McPhee↗

DOE OSTI2024

Jurassic deserts and CO2 sequestration: the Glen Canyon Group in Utah, western USA

The Early Jurassic in the Western Interior of USA consisted of an extensive desert environment, including one of the largest ergs in geologic history. The Navajo erg has been estimated to extend as much as 2.2 million square kilometers, though the preserved extent is somewhat smaller. The Mesozoic was a global greenhouse phase, and during the Jurassic this region experienced fluctuations in climate aridity, reflected in the depositional environment. In addition to extensive dunefields, interdune deposits (lakes and oases) and fluvial systems are also documented within formations of the Glen Canyon Group. The Navajo Sandstone has received much attention as a potential CO2 injection target in recent years. It consists of thick, aeolian sandstones with high porosity and permeability, occurs in both outcrop and subcrop, and has industry data. Mapping of stratigraphic and sedimentologic changes within the Navajo Sandstone has been undertaken in localized areas, however piecing together these studies and developing regional models for CO2 potential has not received as much attention. There is significant industry data across Utah, and utilizing this data to pivot from a focus on hydrocarbon extraction to CO2 injection is an effective way to move forward with green energy, and to meet carbon neutral emission goals. Using legacy well data, we are developing a more comprehensive study of the Navajo Sandstone as a potential CO2 reservoir, in addition to identifying other zones of interest within the Glen Canyon Group, and improving understanding of stratigraphic complexity within one of the most significant aeolian systems in the world.

Mahon, Elizabeth↗

DOE OSTI2014

Osmoregulation in Methanogens (and Other Interesting Organisms)

Our research has been aimed at (i) identifying, (ii) determining mode of regulation, and (iii) understanding how different classes of compatible solutes (also termed osmolytes) affect macromolecular stability in response to osmotic and thermal stress. For solutes we have identified (e.g., di-inositol-1,1’-phosphate (DIP)), we used NMR to elucidate biosynthetic pathways and then cloned suspected enzymes in the pathway to explore how they are regulated. Compatible solutes are thought to protect proteins from thermal and osmotic stresses by being excluded from the surface, allowing critical water molecules to interact with the protein. This implies there are no specific binding interactions between osmolytes and proteins. However, we and others have often observed very specific solute effects for proteins that suggest a more direct interaction between solute and protein is likely can occur. Measuring such a weak interaction is extremely difficult. We have developed a solution NMR method, high-resolution field cycling relaxometry, that can measure spin-lattice relaxation rates as a function of magnetic field from 11.7 (the field of a 500 MHz spectrometer) to 0.003 T. The methodology is ideal for nuclei in small molecules with moderately long relaxation times at high fields – phosphate groups (31P), enriched carbonyls (13C), or methyl groups (1H). The protein of interest is spin-labeled to introduce a large dipole on it that will dominate the relaxation of nuclei on any small molecules that bind transiently. The key is to measure relaxation below 1-2 T (and extract nuclei-spin label distances in the bound complex) where the small molecule relaxation will be dominated by dipolar mechanisms with a correlation time indicative of the large protein complex. Our explorations of an inositol monophosphatase (the last step in DIP generation) localized four discrete binding sides for the thermoprotectant α-glutamate. This is a novel approach, and while the work did not fully explain how this solute protected the IMPase from thermal denaturation, it did showcase a new and exciting method to monitor weak binding in biological systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

New Horizons in C-F Activation by Main Group Electrophiles (Final Technical Report)

We became interested in developing new methods for hydrodefluorination (HDF) and other types of C-F bond conversion in polyfluoroalkanes under mild conditions. We were attracted to an approach to C-F activation, where the key C-F cleavage proceeds by a Lewis acid abstraction of fluoride rather than a redox event. The efforts during the previous period were aimed at a) advancing the HDF reactivity with improvement in scope and catalyst longevity; b) extending C-F activation beyond HDF; c) generating insight about the elementary steps of the reaction and potential intermediates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2001

High Resolution Infrared Spectroscopy of Molecules of Terrestrial and Planetary Interest

In collaboration with the laboratory spectroscopy group of the Ames Atmospheric Physics Research Branch (SGP), high resolution infrared spectra of molecules that are of importance for the dynamics of the earth's and other planets' atmospheres were acquired using the SGP high resolution Fourier transform spectrometer and gas handling apparatus. That data, along with data acquired using similar instrumentation at the Kitt Peak National Observatory was analyzed to determine the spectral parameters for each of the rotationally resolved transitions for each molecule. Those parameters were incorporated into existing international databases (e.g. HITRANS and GEISA) so that field measurements could be converted into quantitative information regarding the physical and chemical structures of earth and planetary atmospheres.

Freedman, Richard S.↗