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### 1. The “2T” ion-electron semi-analytic shock solution for code-comparison with xRAGE [electronic resource] : A report for FY16[2016]

Book
1 online resource (8 p.) : digital, PDF file.
This report documents an effort to generate the semi-analytic "2T" ion-electron shock solution developed in the paper by Masser, Wohlbier, and Lowrie, and the initial attempts to understand how to use this solution as a code-verification tool for one of LANL's ASC codes, xRAGE. Most of the work so far has gone into generating the semi-analytic solution. Considerable effort will go into understanding how to write the xRAGE input deck that both matches the boundary conditions imposed by the solution, and also what physics models must be implemented within the semi-analytic solution itself to match the model assumptions inherit within xRAGE. Therefore, most of this report focuses on deriving the equations for the semi-analytic 1D-planar time-independent "2T" ion-electron shock solution, and is written in a style that is intended to provide clear guidance for anyone writing their own solver.

### 2. “Applying Physics to Solve National Security Challenges – A Creighton Grad’s Retrospective from Los Alamos” [electronic resource][2013]

Abstract Not Provided

### 3. “Artificial Leaf” Turns Carbon Dioxide Into Fuel [electronic resource][2016]

Researchers at Argonne and the University of Illinois at Chicago have found a way to convert carbon dioxide into a usable energy source using sunlight. The process is similar to photosynthesis, the way plants make fuel from light, so the system is called the “artificial leaf.”

### 4. “Conversion of Waste CO2 and Shale Gas to High Value Chemicals” [electronic resource][2016]

Book
20 p. : digital, PDF file.
The ultimate objective of the project was to develop, build, operate and validate a laboratory scale continuous process to make carbon dioxide (CO<sub>2</sub>)-based chemical intermediates with significantly lower energy content, carbon footprint, and cost than today’s petrochemical versions. Novomer’s catalyst allows carbon monoxide (CO) – an output of Praxair’s solid oxide electrolyzer (SOE) CO<sub>2</sub> to CO conversion technology – to be combined with an ethane-derivative (ethylene oxide, (EO)) to form a versatile intermediate called beta-propiolactone (BPL) via carbonylation chemistry. The BPL can be converted to acrylic acid using known technologies previously demonstrated at commercial scale, or further reacted in the presence of Novomer’s catalyst to form four-carbon chemical intermediates. The team has collected engineering data required to build a pilot plant (out of scope project scope) with the assistance of an industrial chemical partner.

### 5. “Exploring High Energy Interactions with CMS at the LHC” [electronic resource][2016]

Book
1 online resource (12 p.) : digital, PDF file.

### 6. “Hard probes” of strongly-interacting atomic gases [electronic resource].[2012]

Book
1 online resource.
We investigate properties of an energetic atom propagating through strongly interacting atomic gases. The operator product expansion is used to systematically compute a quasiparticle energy and its scattering rate both in a spin-1/2 Fermi gas and in a spinless Bose gas. Reasonable agreement with recent quantum Monte Carlo simulations even at a relatively small momentum k/kF > 1.5 indicates that our large-momentum expansions are valid in a wide range of momentum. We also study a differential scattering rate when a probe atom is shot into atomic gases. Because the number density and current density of the target atomic gas contribute to the forward scattering only, its contact density (measure of short-range pair correlation) gives the leading contribution to the backward scattering. Therefore, such an experiment can be used to measure the contact density and thus provides a new local probe of strongly interacting atomic gases.

### 7. “Lidar Investigations of Aerosol, Cloud, and Boundary Layer Properties Over the ARM ACRF Sites” [electronic resource].[2015]

Book
1 online resource (5 p. ) : digital, PDF file.
Project goals; Characterize the aerosol and ice vertical distributions over the ARM NSA site, and in particular to discriminate between elevated aerosol layers and ice clouds in optically thin scattering layers; Characterize the water vapor and aerosol vertical distributions over the ARM Darwin site, how these distributions vary seasonally, and quantify the amount of water vapor and aerosol that is above the boundary layer; Use the high temporal resolution Raman lidar data to examine how aerosol properties vary near clouds; Use the high temporal resolution Raman lidar and Atmospheric Emitted Radiance Interferometer (AERI) data to quantify entrainment in optically thin continental cumulus clouds; and Use the high temporal Raman lidar data to continue to characterize the turbulence within the convective boundary layer and how the turbulence statistics (e.g., variance, skewness) is correlated with larger scale variables predicted by models.

### 8. “Measurement of void swelling in thick non-uniformly irradiated 304 stainless steel blocks using nondestructive ultrasonic techniques” [electronic resource][2001]

Void swelling is of potential importance in PWR austenitic internals, especially in components that will see higher doses during plant lives beyond 40 years. Proactive surveillance of void swelling is required to identify its emergence before swelling reaches levels that cause high levels of embrittlement and distortion. Non-destructive measurements of ultrasonic velocity can measure swelling at fractions of a percent. To demonstrate the feasibility of this technique for PWR application we have investigated five blocks of 304 stainless steel that were irradiated in the EBR-II fast reactor. These blocks were of hexagonal cross-section, with thickness of ~50 mm and lengths of ~218-245 mm. They were subjected to significant axial and radial gradients in gamma heating, temperature and dpa rate, producing complex internal distributions of swelling, reaching ~3.5% maximum at an off-center mid-core position. Swelling decreases both the density and elastic modulii, thereby impacting the ultrasonic velocity. Concurrently, carbide precipitates form, producing increases in density and decreases in elastic modulii. Using blocks from both low and high dpa levels it was possible to separate the ultrasonic contributions of voids and carbides. Time-of-flight ultrasonic measurements were used to non-destructively measure the internal distribution of void swelling. These distributions were confirmed using non-destructive profilometry followed by destructive cutting to provide density change and electron microscopy data. It was demonstrated that the four measurement types produce remarkably consistent results. Therefore ultrasonic measurements offer great promise for in-situ surveillance of voids in PWR core internals.

### 9. “Nodal Gap” induced by the incommensurate diagonal spin density modulation in underdoped high- $Tc$ superconductors [electronic resource].[2015]

Book
1 online resource (8 p. ) : digital, PDF file.
<p>Recently it was revealed that the whole Fermi surface is fully gapped for several families of underdoped cuprates. The existence of the finite energy gap along the <math id='M2'><mrow><mi>d</mi></mrow>[/itex]-wave nodal lines (nodal gap) contrasts the common understanding of the <math id='M3'><mrow><mi>d</mi></mrow>[/itex]-wave pairing symmetry, which challenges the present theories for the high-<math id='M4'><mrow><msub><mrow><mi>T</mi></mrow><mrow><mi>c</mi></mro w></msub></mrow>[/itex]superconductors. Here we propose that the incommensurate diagonal spin-density-wave order can account for the above experimental observation. The Fermi surface and the local density of states are also studied. Our results are in good agreement with many important experiments in high-<math id='M5'><mrow><msub><mrow><mi>T</mi></mrow><mrow><mi>c</mi></mro w></msub></mrow>[/itex]superconductors.</p>

### 10. “Open Hatch” Tour of Offshore Wind Buoy [electronic resource].[2015]

Wind and Water Power Technologies Office Director, Jose Zayas gives a behind the scenes tour of the AXYS WindSentinel research buoy, which uses high-tech instruments to measure conditions for potential offshore wind energy development.

### 11. “Revenue Management” Effects Related to Financial Flows Generated by Climate Policy [electronic resource][2009]

Book
1 online resource (37 p.)
This paper discusses possible macroeconomic implications for low-income countries of increased revenue inflows that may follow from implementing certain global greenhouse gas mitigation policies. Such revenue sources include revenue from emissions offset mechanisms, direct investments, and financial transfers that form parts of possible future mitigation treaties. In the short run such revenue will come mainly from offset markets and donor-sponsored programs, with some additional financial inflows due to foreign direct investments. In the longer run, comprehensive global cap-and-trade or carbon tax schemes could provide a potentially much larger revenue flow to many low-income countries. The author argues that the macroeconomic implications of such flows are manageable in the short run, but the larger revenues resulting from global emissions schemes could overwhelm this capacity and lead to a number of potential macroeconomic management problems.

### 12. “Ripples” on a relativistically expanding fluid [electronic resource].[2014]

Book
1 online resource (Article No. 064912 ) : digital, PDF file.
Recent studies have shown that fluctuations of various types play important roles in the evolution of the fireball created in relativistic heavy ion collisions and bear many phenomenological consequences for experimental observables. In addition, the bulk dynamics of the fireball is well described by relativistic hydrodynamic expansion and the fluctuations on top of such expanding background can be studied within the linearized hydrodynamic framework. In this paper we present complete and analytic sound wave solutions on top of both Bjorken flow and Hubble flow backgrounds.

### 13. “Rocking-Chair”-Type Metal Hybrid Supercapacitors [electronic resource][2016]

Book
1 online resource (p. 30853-30862 ): digital, PDF file.
Hybrid supercapacitors that follow a “rocking-chair”-type mechanism were developed by coupling divalent metal and activated carbon electrodes in nonaqueous electrolytes. Conventional supercapacitors require a large amount of electrolyte to provide a sufficient quantity of ions to the electrodes, due to their Daniell-type mechanism that depletes the ions from the electrolyte while charging. The alternative “rocking-chair”-type mechanism effectively enhances the energy density of supercapacitors by minimizing the necessary amount of electrolyte, because the ion is replenished from the metal anode while it is adsorbed to the cathode. Newly developed nonaqueous electrolytes for Mg and Zn electrochemistry, based on bis(trifluoromethylsulfonyl)imide (TFSI) salts, made the metal hybrid supercapacitors possible by enabling reversible deposition on the metal anodes and reversible adsorption on an activated carbon cathode. Factoring in gains through the cell design, the energy density of the metal hybrid supercapacitors is projected to be a factor of 7 higher than conventional devices thanks to both the “rocking-chair”-type mechanism that minimizes total electrolyte volume and the use of metal anodes, which have substantial merits in capacity and voltage. Self-discharge was also substantially alleviated compared to conventional supercapacitors. This concept offers a route to build supercapacitors that meet dual criteria of power and energy densities with a simple cell design.

### 14. “Rocking-chair”-type metal hybrid supercapacitors [electronic resource][2016]

Book
1 online resource (p. 30853-30862 ): digital, PDF file.
Hybrid supercapacitors that follow a "rocking-chair"-type mechanism were developed by coupling divalent metal and activated carbon electrodes in nonaqueous electrolytes. Conventional supercapacitors require a large amount of electrolyte to provide a sufficient quantity of ions to the electrodes, due to their Daniell-type mechanism that depletes the ions from the electrolyte while charging. The alternative "rocking-chair"-type mechanism effectively enhances the energy density of supercapacitors by minimizing the necessary amount of electrolyte, because the ion is replenished from the metal anode while it is adsorbed to the cathode. Newly developed nonaqueous electrolytes for Mg and Zn electrochemistry, based on bis(trifluoromethylsulfonyl)imide (TFSI) salts, made the metal hybrid supercapacitors possible by enabling reversible deposition on the metal anodes and reversible adsorption on an activated carbon cathode. Factoring in gains through the cell design, the energy density of the metal hybrid supercapacitors is projected to be a factor of 7 higher than conventional devices thanks to both the "rocking-chair"-type mechanism that minimizes total electrolyte volume and the use of metal anodes, which have substantial merits in capacity and voltage. Self-discharge was also substantially alleviated compared to conventional supercapacitors. Lastly, this concept offers a route to build supercapacitors that meet dual criteria of power and energy densities with a simple cell design.

### 15. The “SF" System of Sextupoles for the JLAB 10 KW Free Electron Laser Upgrade [electronic resource].[2009]

Book
1 online resource.
The characteristics of the system of “SF" Sextupoles for the infrared Free Electron Laser Upgrade1 at the Thomas Jefferson National Accelerator Facility (JLab) are described. These eleven sextupoles possess a large field integral (2.15 T/m) with +/- 0.2%

### 16. “Structural Transformations in Ceramics [electronic resource] : Perovskite-like Oxides and Group III, IV, and V Nitrides”[2006]

Book
1 online resource.
1 Overview of Results and their Significance Ceramic perovskite-like oxides with the general formula (A. A0. ...)(B. B0. ...)O3and titanium-based oxides are of great technological interest because of their large piezoelectric and dielectric response characteristics.[1] In doped and nanoengineered forms, titantium dioxide finds increasing application as an organic and hydrolytic photocatalyst. The binary main-group-metal nitride compounds have undergone recent advancements of in-situ heating technology in diamond anvil cells leading to a burst of experimental and theoretical interest. In our DOE proposal, we discussed our unique theoretical approach which applies ab initio electronic calculations in conjunction with systematic group-theoretical analysis of lattice distortions to study two representative phase transitions in ceramic materials: (1) displacive phase transitions in primarily titanium-based perovskite-like oxide ceramics, and (2) reconstructive phase transitions in main-group nitride ceramics. A sub area which we have explored in depth is doped titanium dioxide electrical/optical properties.

### 17. “Thought experiments” as dry-runs for “tough experiments” [electronic resource] : novel approaches to the hydration behavior of oxyanions[2016]

Book
1 online resource (p. 163-176 ): digital, PDF file.
We explore the deconvolution of correlations for the interpretation of the microstructural behavior of aqueous electrolytes according to the neutron diffraction with isotopic substitution (NDIS) approach toward the experimental determination of ion coordination numbers of systems involving oxyanions, in particular, sulfate anions. We discuss the alluded interplay in the title of this presentation, emphasized the expectations, and highlight the significance of tackling the challenging NDIS experiments. Specifically, we focus on the potential occurrence of N\$2+\atop{i}\$ ...SO\$2-\atop{4}\$ pair formation, identify its signature, suggest novel ways either for the direct probe of the contact ion pair (CIP) strength and the subsequent correction of its effects on the measured coordination numbers, or for the determination of anion coordination numbers free of CIP contributions through the implementation of null-cation environments. For that purpose we perform simulations of NiSO<sub>4</sub> aqueous solutions at ambient conditions to generate the distribution functions required in the analysis (a) to identify the individual partial contributions to the total neutron-weighted distribution function, (b) to isolate and assess the contribution of N\$2+\atop{i}\$ ...SO\$2-\atop{4}\$ pair formation, (c) to test the accuracy of the neutron diffraction with isotope substitution based coordination calculations and X-ray diffraction based assumptions, and (d) to describe the water coordination around both the sulfur and oxygen sites of the sulfate anion. In conclusion, we finally discuss the strength of this interplay on the basis of the inherent molecular simulation ability to provide all pair correlation functions that fully characterize the system microstructure and allows us to “reconstruct” the eventual NDIS output, i.e., to take an atomistic “peek” (e.g., see Figure 1) at the local environment around the isotopically-labeled species before any experiment is ever attempted, and ultimately, to test the accuracy of the “measured” NDIS-based coordination numbers against the actual values by the “direct” counting.

### 18. “Trunk-like” heavy ion structures observed by the Van Allen Probes [electronic resource][2015]

Book
1 online resource (p. 8738-8748 ): digital, PDF file.
Dynamic ion spectral features in the inner magnetosphere are the observational signatures of ion acceleration, transport, and loss in the global magnetosphere. Here, we report “trunk-like” ion structures observed by the Van Allen Probes on 2 November 2012. This new type of ion structure looks like an elephant's trunk on an energy-time spectrogram, with the energy of the peak flux decreasing Earthward. The trunks are present in He<sup>+</sup> and O<sup>+</sup> ions but not in H<sup>+</sup>. During the event, ion energies in the He+ trunk, located at L=3.6–2.6, magnetic local time (MLT)=9.1–10.5, and magnetic latitude (MLAT) =-2.4–0.09°, vary monotonically from 3.5 to 0.04 keV. Values at the two end points of the O<sup>+</sup> trunk are energy=4.5–0.7keV, L=3.6–2.5, MLT=9.1–10.7, and MLAT=-2.4–0.4°. Our results from backward ion drift path tracings indicate that the trunks are likely due to (1) a gap in the nightside ion source or (2) greatly enhanced impulsive electric fields associated with elevated geomagnetic activity. Different ion loss lifetimes cause the trunks to differ among ion species.

### 19. “Using Statistical Comparisons between SPartICus Cirrus Microphysical Measurements, Detailed Cloud Models, and GCM Cloud Parameterizations to Understand Physical Processes Controlling Cirrus Properties and to Improve the Cloud Parameterizations” [electronic resource][2015]

Book
36 p. : digital, PDF file.
The dual objectives of this project were improving our basic understanding of processes that control cirrus microphysical properties and improvement of the representation of these processes in the parameterizations. A major effort in the proposed research was to integrate, calibrate, and better understand the uncertainties in all of these measurements.