Results for “Pauling” — Page 6

NASA NTRS2021

Chapter 3: Suspensions, foams, emulsions, colloids, and granular materials--self-healing, tuning gravity, and life support for exploration

At the suggestion of NASA’s Physical Science Research Program in the Space Life and Physical Science Research and Application Division, Paul Chaikin, Noel Clark, and Sidney Nagel organized a focus session and workshop for the 2020 American Physical Society (APS) March meeting under the auspices of the Division of Soft Matter. Three overarching themes emerged from the workshop and are presented with additional details: • Machines made out of machines • Scalable self-sustaining ecosystems • Active materials and metamaterials This report lays out only some of the potential directions for soft matter dynamics over the next two decades. It also lays out the role that gravity plays in the organization of the basic building blocks of matter. Not only will research on soft matter have tremendous application towards understanding its behavior in our terrestrial environment, but also potentially in other NASA programs such as planetary science, exploration, robotics, etc. Attached is a White Paper for the Decadal Survey that consists of an extended Title along with the previous Introduction and Chapter 2.3 from NASA/CP-20205010493.

Soft matter↗

NASA NTRS2021

Chapter 4: Packings, simulation, and big data--artificial intelligence emulation of soft matter

At the suggestion of NASA’s Physical Science Research Program in the Space Life and Physical Science Research and Application Division, Paul Chaikin, Noel Clark, and Sidney Nagel organized a focus session and workshop for the 2020 American Physical Society (APS) March meeting under the auspices of the Division of Soft Matter. Three overarching themes emerged from the workshop and are presented with additional details: • Machines made out of machines • Scalable self-sustaining ecosystems • Active materials and metamaterials This report lays out only some of the potential directions for soft matter dynamics over the next two decades. It also lays out the role that gravity plays in the organization of the basic building blocks of matter. Not only will research on soft matter have tremendous application towards understanding its behavior in our terrestrial environment, but also potentially in other NASA programs such as planetary science, exploration, robotics, etc. Attached is a White Paper for the Decadal Survey that consists of an extended Title along with the previous Introduction and Chapter 2.4 from NASA/CP-20205010493.

Soft matter↗

NASA NTRS2021

Chapter 5: Mechanical metamaterials and topological soft matter: allostery and auxetics--distributed energetics and mutation upon deployment

At the suggestion of NASA’s Physical Science Research Program in the Space Life and Physical Science Research and Application Division, Paul Chaikin, Noel Clark, and Sidney Nagel organized a focus session and workshop for the 2020 American Physical Society (APS) March meeting under the auspices of the Division of Soft Matter. Three overarching themes emerged from the workshop and are presented with additional details: • Machines made out of machines • Scalable self-sustaining ecosystems • Active materials and metamaterials This report lays out only some of the potential directions for soft matter dynamics over the next two decades. It also lays out the role that gravity plays in the organization of the basic building blocks of matter. Not only will research on soft matter have tremendous application towards understanding its behavior in our terrestrial environment, but also potentially in other NASA programs such as planetary science, exploration, robotics, etc. Attached is a White Paper for the Decadal Survey that consists of an extended Title along with the previous Introduction and Chapter 2.5 from NASA/CP-20205010493.

Soft matter↗

NASA NTRS2021

Chapter 6: Soft matter, bioscience, and biotechnology--evolution and the marginal stability of life

At the suggestion of NASA’s Physical Science Research Program in the Space Life and Physical Science Research and Application Division, Paul Chaikin, Noel Clark, and Sidney Nagel organized a focus session and workshop for the 2020 American Physical Society (APS) March meeting under the auspices of the Division of Soft Matter. Three overarching themes emerged from the workshop and are presented with additional details: • Machines made out of machines • Scalable self-sustaining ecosystems • Active materials and metamaterials This report lays out only some of the potential directions for soft matter dynamics over the next two decades. It also lays out the role that gravity plays in the organization of the basic building blocks of matter. Not only will research on soft matter have tremendous application towards understanding its behavior in our terrestrial environment, but also potentially in other NASA programs such as planetary science, exploration, robotics, etc. Attached is a White Paper for the Decadal Survey that consists of an extended Title along with the previous Introduction and Chapter 2.6 from NASA/CP-20205010493.

Soft matter↗

NASA NTRS2021

Chapter 7: Active patterning and structure formation—self-limiting assembly, actuation, and integration

At the suggestion of NASA’s Physical Science Research Program in the Space Life and Physical Science Research and Application Division, Paul Chaikin, Noel Clark, and Sidney Nagel organized a focus session and workshop for the 2020 American Physical Society (APS) March meeting under the auspices of the Division of Soft Matter. Three overarching themes emerged from the workshop and are presented with additional details: • Machines made out of machines • Scalable self-sustaining ecosystems • Active materials and metamaterials This report lays out only some of the potential directions for soft matter dynamics over the next two decades. It also lays out the role that gravity plays in the organization of the basic building blocks of matter. Not only will research on soft matter have tremendous application towards understanding its behavior in our terrestrial environment, but also potentially in other NASA programs such as planetary science, exploration, robotics, etc. Attached is a White Paper for the Decadal Survey that consists of an extended Title along with the previous Introduction and Chapter 2.7 from NASA/CP-20205010493.

Soft matter↗

NASA NTRS2021

Chapter 8: Fluids: liquid crystals—self-assembly of the superlarge and superweak active clothing

At the suggestion of NASA’s Physical Science Research Program in the Space Life and Physical Science Research and Application Division, Paul Chaikin, Noel Clark, and Sidney Nagel organized a focus session and workshop for the 2020 American Physical Society (APS) March meeting under the auspices of the Division of Soft Matter. Three overarching themes emerged from the workshop and are presented with additional details: • Machines made out of machines • Scalable self-sustaining ecosystems • Active materials and metamaterials This report lays out only some of the potential directions for soft matter dynamics over the next two decades. It also lays out the role that gravity plays in the organization of the basic building blocks of matter. Not only will research on soft matter have tremendous application towards understanding its behavior in our terrestrial environment, but also potentially in other NASA programs such as planetary science, exploration, robotics, etc. The attached is a White Paper for the Decadal Survey that consists of an extended Title along with the previous Introduction and Chapter 2.8 from NASA/CP-20205010493.

Soft matter↗

DOE OSTI2021

Storage Futures Study: Four Phases Framework and Modeling

This webinar, presented by Paul Denholm and Will Frazier, incorporates material from two publications of the NREL Storage Futures Study: "The Four Phases of Storage Deployment: A Framework for the Expanding Role of Storage in the U.S. Power System" (https://www.nrel.gov/docs/fy21osti/77480.pdf) and "Storage Futures Study: Economic Potential of Diurnal Storage in the U.S. Power Sector" (https://www.nrel.gov/docs/fy21osti/77449.pdf).

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2022

Grand Challenges in the Science of Making Torque from Wind: Then and Now

Shifting the electricity supply to renewable sources within the next two decades is the first step in decarbonizing the energy sector, and wind energy will play a central role in enabling this rapid energy transition to clean energy. The international wind energy research community - including NREL researchers - has determined that for wind power to fulfill its expected role as a major global supplier of carbon-free energy, critical challenges around the design, development, and deployment of wind energy must be addressed - quickly. Paul Veers and other NREL researchers joined 100 worldwide wind energy experts in writing a series of 10 articles for publication in Wind Energy Science. With the support and guidance of the European Academy of Wind Energy Publications Committee, the articles synthesize and clarify the most critical wind energy science needs. This presentation introduces the concept of the Grand Challenges and its 10 articles.

decarbonization↗

DOE OSTI2023

SDRD Program at the NNSS - June 14, 2023

Presentation on the SDRD Program to be presented by Paul Guss during the June 14 Department of Homeland Security Science and Technology event.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2020

Panel Session 4 and 15: Japan Fukushima Daiichi D and D Update and Technological Challenges at Japan Fukushima Daiichi D and D and Update on Nuclear Overview and Development in Japan - Nuclear Fuel Cycle

Sessions 4 and 15 represent a two-part panel series that discusses progress and challenges associated with cleanup at Fukushima. Severe limitations on availability of original panelists from Japan due to strict restrictions put in place to alleviate the spread of coronavirus necessitated changes to both panels. The result was a significantly modified panel for Session 04 (shown above) and the elimination of all panelists for Session 15. The 4 and 15 Panel Sessions provide an overview of activities related to both the progress and challenges of cleanup and decommissioning of the Fukushima Daiichi Nuclear Power Station (NPS) in Japan. Five panelists discussed perspectives of the cleanup following a Tokyo Electric Power Company (TEPCO) video showing the progress on site since the devastating Great East Earthquake and tsunami that caused the explosions at three of the six reactors on the site. Three of the five panelists discussed on-going work being performed for the effort, while the other two provided expert perspectives of on strategic efforts at the site. The panel was attended by over 80 technologists and policy makers spanning the globe and was opened by Dr. Monica Regalbuto of Idaho National Laboratory and a short video provided by TEPCO. The video described changes at the site that spanned the cleanup efforts from stabilizing water intrusion into the contaminated reactor buildings to construction of new administrative facilities. The video explained the processes underway to retrieve spent fuel rods and challenges in retrieval of the compromised fuel debris. The video highlighted working condition improvements that included establishment of rest housing and a small convenience store on the site, and the rollback of protective equipment around the site due to decreases contamination. Panelists with presentations: Revision of 'the Mid-and-Long-Term Road-map towards the Decommissioning of TEPCO's Fukushima Daiichi Nuclear Power Station' (Paul Dickman); Sharing UK experience at Fukushima Daiichi (Adrian Simper); SRNL Japan (Andrew Fellinger); ABLE's Initiative to Dismantle the Exhaust Stack (Daniel Walter); JAEA R and D in Fukushima (Tokio Fukahori); TEPCO - Overview and Update of the Fukushima Decommissioning Process (Monica Regalbuto); Toshiba's Involvement in the Decommissioning of the Fukushima Daiichi Nuclear Power Plant (Yasuhiro Yuguchi); Remote Dismantling of the Exhaust Stack At Fukushima Dai-ichi NPS (Takashi Okutsu)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Panel Session 132: Risk-Informed Approach for Decision Making in WM, D and D and SNF Management: Reasonable Assurance for Safety

Mr. Larry Camper organized a panel of experts to discuss approaches to better make risk-informed decisions in waste management, decommissioning, and the management of Spent Nuclear Fuel (SNF). The audience heard the perspectives from four panelists that addressed issues ranging from the technical basis used to make risk-informed decisions to for developing cleanup criteria and promulgating regulations and safety standards both domestically and abroad. A summary of each of the presentations given by the panelists is provided herein. This WMS BOD featured panel focused on the Risk-Informed Approach for Decision Making in WM, D and D and SNF Management and the Reasonable Assurance for Safety. The panelists addressed and discussed with the audience different approaches used for decision-making, summarizing ongoing probabilistic vs. deterministic approaches, including IAEA graded approach, and discussed policies/approaches to achieve reasonable assurance for safety rather than using absolute assurance. Panelists with presentations: Risk-Informed Decision Making - More than a Motto? (Paul Black); NRC Staff Perspective on Risk-Informed Approach and Reasonable Safety Assurance in D and D and LLW (Rateb (Boby) Abu Eid); Risk-Informed Decision-Making and Illustrative National Academies Studies (Charles Ferguson); IAEA's Revised Safety Guidance on Remediation (Michelle Roberts); NDA Radioactive Waste Strategy - A Risk Informed Approach (James McKinney)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Panel Session 46: Final Closure of Unlined LLW Disposal Facilities Worldwide (R3.5)

This panel discussed the on-going and emerging issues with the design and construction of final cover system of unlined disposal facilities (e.g., material disposal areas (MDAs), subsurface disposal areas (SDAs), burial grounds, and similar historical waste trenches, pits and vaults). The discussion focused on key technical and regulatory issues as well as lessons learned from years of engineering and construction in US and non-US locations. Panelists with presentations: Closure of Unlined LLW Disposal Sites (Craig Benson); Closure of LLW Facilities (Paul Pointon); Final Closure of Unlined LLW Disposal Facilities - Lessons Learned (Kevin Foye)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Comparison of Quinone-Based Catholytes for Aqueous Redox Flow Batteries and Demonstration of Long-Term Stability with Tetrasubstituted Quinones

Quinones are appealing targets as organic electrolytes for aqueous redox flow batteries (RFBs), but their utility continues to be constrained by limited stability under operating conditions. The present study evaluates the stability of a series water-soluble quinones, with redox potentials ranging from 605–885 mV vs. NHE, under acidic aqueous conditions (1 M H2SO4). Four of the quinones are examined as cathodic electrolytes in an aqueous RFB, paired with anthraquinone-2,7-disulfonate (AQDS) as the anodic electrolyte. The RFB data complement the solution stability measures and show that the most stable electrolyte is a tetrasubstituted quinone containing four sulfonated thioether substituents. The results highlight the importance of substituting all C–H positions of the quinone in order to maximize the quinone stability and set the stage for design of improve organic electrolytes for aqueous RFBs. The authors thank Joseph Fourie for assisting in the synthesis of compound 8. Financial support for this work was provided by the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences (SSS, TWR, JBG, CWA, YP), with supplemental contributions by the Wisconsin Alumni Research Foundation (WARF) through the WARF Accelerator Program (YQ and partial support for JBG, CWA, YP). NMR spectroscopy facilities were partially supported by the NSF (CHE-0342998 and CHE-1048642), a UW Madison Instructional Laboratory Modernization Award, and a gift from Paul J. and Margaret M. Bender.

aqueous flow batteries, quinones, organic, redox m↗

DOE OSTI2022

Land use-land cover gradient demonstrates the importance of perennial grasslands with intact soils for building soil carbon in the fertile Mollisols of the North Central US

The impact of land use change and agricultural management on the cycling of soil organic carbon (SOC) is not well understood, limiting our ability to manage for, and accurately model, soil carbon changes at both local and regional scales. To address this issue, here we combined long-term soil incubations with acid-hydrolysis and dry combustion to parse total SOC (C t ) into three operationally defined SOC pools (active, slow, and recalcitrant) from 9 long-term sites with varying land uses on current and former tallgrass prairie soil. Land uses represented a gradient of soil disturbance histories including remnant prairie, restored prairie, grazed pasture, annual crop rotations, and continuous maize. Dry combustion was used to estimate total carbon (C t , physical), while acid hydrolysis of both the active (C a ) and slow (C s ) pools was used to estimate a recalcitrant carbon pool (C r , chemical). Non-linear modeling of CO 2 efflux data from the long-term incubations was then used to estimate C a , and the decomposition rates of both C a and C s (k a and k r , biological). The size of the slow pools C s was then defined mathematically as C t- (C a + C r ). Remnant prairie had the highest C t , while cool-season pasture and a 35-y-old restored prairie had higher C t than the other agricultural systems. All agricultural systems, including pasture, had the highest fraction of C t as C r (~50%), whose mean residence time (MRT) in these soils is ≥500 years (Paul et al., 2001a) demonstrating that this fraction persists, while the more labile fractions were lost over the course of a few months (C a ) to a few decades (C s ) as a result of tillage-intensive agriculture. The two- to four-decade MRT time of C s indicated a pool likely to be more responsive to the 20 to 40 years of land-use practices used at some of the sites. The C s pool was largest in the remnant- and 35-y-old prairies indicating significant C accrual and stabilization compared to the agricultural ecosystems. Interestingly, the remnant prairie maintained the highest C a pool as well, demonstrating the strong connection between the quantity of fresh C inputs and the potential for long-term C stabilization and accrual. The accumulation of C in active (≈labile) pools as a first step toward long-term stabilization highlights the tenuous nature of early carbon gains, which can be quickly lost in response to climate change or poor management.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Spectroscopy and dynamics of the v = 1 levels derived from the OH(D) stretching modes in the I‾∙HDO complex using CW and time-resolved, resonant two-photon infrared excitation of the cryogenically cooled ions

The vibrational energy levels of the two isotopomers adopted by the I‾∙HDO ion-molecule complex occur such that the OH(D) stretching fundamentals span its dissociation energy, thus enabling a spectroscopic investigation of the dynamics displayed by a system prepared in the vicinity of the dissociation threshold. This regime is explored using infrared photoexcitation of the mass-selected complexes cooled in a cryogenic radiofrequency (Paul) ion trap. Survey spectra are obtained at modest resolution using two-color, IR-IR photodissociation with nanosecond lasers to establish the level structure and unimolecular decay dynamics of the v = 1 and 2 levels of the bound OH(D) oscillator. The v = 1 levels are prepared by fixed frequency excitation in the trap and the absorption spectra arising from this excited state are probed by photofragmentation of the complex with a second pulsed IR laser after a variable delay time (0 to 20 ms). The transitions to levels above the dissociation threshold for I‾ + HDO formation are observed to be sharp (~5 cm -1 FWHM). At low pressure, the bound OD (v = 1) population relaxes very slowly (~3 ms), consistent with resonant fluorescence in the IR. The collisional quenching rate constants of this level by the He buffer gas were estimated to be on the order 3 x 10 -12 cm 3 /s based on a crude Stern-Volmer analysis. Here, the rotational fine structure and linewidths (≲0.01 cm -1 FWHM) arising from transitions of the non-bonded OH stretch fundamental of the OD-bound isotopomer that lies just above the dissociation energy are determined using single photon photodissociation by excitation of the 10 K ions with a single-frequency, CW IR laser in the ion trap.

Cryogenic ion infrared spectroscopy↗

DOE OSTI2021

Strain induced electronic structure, and magnetic and structural properties in quaternary Heusler alloys ZrRhTiZ (Z = Al, In)

In this work, electronic structure, and magnetic and structural properties of quaternary Heusler alloys ZrRhTiZ (Z = Al, In) have been analyzed from first principles calculations. The ferromagnetic ground state and thermodynamical stability of these compounds are supported by relative total energies, and by derived formation and cohesive energies, respectively. The investigated Curie temperatures of the compounds exceed room temperature indicating that these compounds are promising candidates for beyond room temperature spintronics and magneto-electronics applications. Both compounds follow the Slater-Pauling 18 electron rule and exhibit half-metallic ferromagnetic behavior with magnetic moments of 2 μB with 100% spin polarization in one spin channel at the Fermi-level. The effect of uniform strain on half-metallicity of these compounds inverts the band gap from one spin channel to another spin channel with a mixed spin (magnetic moment) regime that can be mapped to an exchange bias like effect observed in some of the magnetic Heusler compounds. The half metallic ferromagnetic behavior is retained within –2 to 2% strain contrasting with the anomalous spin flip in –1% and 1% strain in ZrRhTiZ (Z = Al, In).

36 MATERIALS SCIENCE↗

DOE OSTI2022

Electronic and magnetic properties of iridium-based novel Heusler alloys

We report half-metallicity and magnetism including exchange splitting are the most significant physical parameters to predict and design a candidate material for spintronic applications. We report here an ab-initio investigation on chemical formation and dynamical stability along with electronic structure and magnetic properties of Ir 2 Cr (Si, Ge) and IrRhCr (Si, Ge) Heusler alloys. The negative formation and cohesive energies with positive phonon dispersions confirm the stabilities of these alloys. Electronic structure calculations reveal that Ir 2 Cr (Si, Ge) and IrRhCrSi alloys are half-metallic ferromagnets with unprecedented exchange splitting. In addition, IrRhCrGe also shows semi-metallic nature. All of these materials follow Slater Pauling rule with large magnetic moments and 100% spin-polarization. With Cr bearing the majority of the local magnetic moment and exchange splitting, a ferromagnetic state is more stable than a nonmagnetic state. The electronic charge distribution and population analysis confirm mixed ionic and covalent bonding. The magnetocrystalline anisotropy energy, with the easy magnetization along the [1 1 1] direction, is significantly high in Ir 2 CrGe. Elastic constants such as shear (G), bulk (B), Young’s moduli, and Poisson’s ratio indicate that the IrRhCrSi and IrRhCrGe alloys are mechanically stable, and Ir 2 CrSi and Ir 2 CrGe are mechanically unstable. The Pugh’s (B/G) and Poisson’s ratios confirm that the stable alloys are ductile.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Convolution-based frequency domain multiplexing of SiPM readouts using the $\mathrm{DRS4}$ digitizer

Here we present 4:1 multiplexing of organic scintillators, each coupled to a silicon photomultiplier (SiPM), to reduce the need for a large number of digitizer input channels to readout highly pixelated radiation detection systems. Frequency domain multiplexing (FDM) encodes a detector pulse by assigning it a unique frequency via convolution before combining the encoded signal into a single channel. The combined signal is then read through a digitizer input channel. We have designed an FDM system to multiplex four SiPMs using DRS4 digitizer evaluation board from Paul Scherrer Institute (PSI). We demonstrate 4:1 multiplexing of the SiPM fast output signals and pulse recovery from the digitized multiplexed signal using deconvolution. The noise in the recovered pulse introduces a bias and uncertainty in the estimate of energy and timing that changes with pulse height. The relative uncertainty in the estimated energy from the recovered pulse decreases with pulse height with a maximum uncertainty of 3.1% for the low energy pulses (corresponding to 100 keV); the uncertainty in the estimated time pick-off also decreases with pulse height with a maximum uncertainty of 110 ps for the low energy pulses.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗