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The role of Anderson’s rule in determining electronic, optical and transport properties of transition metal dichalcogenide heterostructures

Two-dimensional (2D) transition metal dichalcogenides (TMDs) MX 2 (M = Mo, W; X = S, Se, Te) possess unique properties and novel applications in optoelectronics, valleytronics and quantum computation. In this work, we performed first-principles calculations to investigate the electronic, optical and transport properties of the van der Waals (vdW) stacked MX 2 heterostructures formed by two individual MX 2 monolayers. Here, we found that the so-called Anderson's rule can effectively classify the band structures of heterostructures into three types: straddling, staggered and broken gap. The broken gap is gapless, while the other two types possess direct (straddling, staggered) or indirect (staggered) band gaps. The indirect band gaps are formed by the relatively higher energy level of Te-d orbitals or the interlayer couplings of M or X atoms. For a large part of the formed MX2 heterostructures, the conduction band maximum (CBM) and valence band minimum (VBM) reside in two separate monolayers, thus the electron–hole pairs are spatially separated, which may lead to bound excitons with extended lifetimes. The carrier mobilities, which depend on three competitive factors, i.e. elastic modulus, effective mass and deformation potential constant, show larger values for electrons of MX 2 heterostructures compared to their constituent monolayers. Finally, the calculated optical properties reveal strong absorption in the ultraviolet region.

36 MATERIALS SCIENCE↗

From individual leaves to forest stands: importance of niche, distance decay, and stochasticity vary by ecosystem type and functional group for fungal community composition

Abstract Community assembly is influenced by environmental niche processes as well as stochastic processes that can be spatially dependent (e.g. dispersal limitation) or independent (e.g. priority effects). Here, we sampled senesced tree leaves as unit habitats to investigate fungal community assembly at two spatial scales: (i) small neighborhoods of overlapping leaves from differing tree species and (ii) forest stands of differing ecosystem types. Among forest stands, ecosystem type explained the most variation in community composition. Among adjacent leaves within stands, variability in fungal composition was surprisingly high. Leaf type was more important in stands with high soil fertility and dominated by differing tree mycorrhizal types (sugar maple vs. basswood or red oak), whereas distance decay was more important in oak-dominated forest stands with low soil fertility. Abundance of functional groups was explained by environmental factors, but predictors of taxonomic composition within differing functional groups were highly variable. These results suggest that fungal community assembly processes are clearest for functional group abundances and large spatial scales. Understanding fungal community assembly at smaller spatial scales will benefit from further study focusing on differences in drivers for different ecosystems and functional groups, as well as the importance of spatially independent factors such as priority effects.

59 BASIC BIOLOGICAL SCIENCES↗

Electron Tunneling and X-Ray Photoelectron Spectroscopy Studies of the Superconducting Properties of Nitrogen-Doped Niobium Resonator Cavities

Scanning tunneling microscopy and spectroscopy and X-ray photoelectron spectroscopy (XPS) have been used to investigate the differences between the surface electronic structures and chemical structure of typically prepared and N-doped Nb cutouts from superconducting radio frequency (SRF) cavities. The goal of this work is to get insights into the fundamental physics and materials mechanisms behind the striking decrease of the surface resistance with the radiofrequency magnetic field, which has been observed by many groups on N-doped Nb cavities. In particular, we address the effects of N-doping on the superconducting properties at the surface of SRF cavities. XPS measurements reveal a significantly more oxidized Nb 3d states on the N-doped Nb surfaces which is confirmed by tunneling spectroscopy measurements. Analysis of the tunneling spectra in the framework of a recent model (A. Gurevich and T. Kubo Phys. Rev. B 96, 184515 (2017)) shows that the N-doping greatly reduces local distribution of superconducting properties on the surface, causes a significant shrinkage of the metallic suboxide and changes the contact resistance between the metallic suboxide and the bulk niobium toward an optimum value, resulting in a lower surface resistance. Combination of these factors enables one to effectively tune the density of states at the surface and to reveal the decrease of the surface resistance with the radio frequency field which follows from the BCS theory. A slightly reduced average gap and a smaller coherence length, revealed by tunneling spectroscopy in the vortex cores, have been found in the N-doped Nb samples compared to typically prepared Nb samples, indicating a stronger impurity scattering caused by nitrogen doping in a moderately disordered material.

Lechner, Eric M.↗

The Importance of HRA in Human Space Flight: Understanding the Risks

Human performance is critical to crew safety during space missions. Humans interact with hardware and software during ground processing, normal flight, and in response to events. Human interactions with hardware and software can cause Loss of Crew and/or Vehicle (LOCV) through improper actions, or may prevent LOCV through recovery and control actions. Humans have the ability to deal with complex situations and system interactions beyond the capability of machines. Human Reliability Analysis (HRA) is a method used to qualitatively and quantitatively assess the occurrence of human failures that affect availability and reliability of complex systems. Modeling human actions with their corresponding failure probabilities in a Probabilistic Risk Assessment (PRA) provides a more complete picture of system risks and risk contributions. A high-quality HRA can provide valuable information on potential areas for improvement, including training, procedures, human interfaces design, and the need for automation. Modeling human error has always been a challenge in part because performance data is not always readily available. For spaceflight, the challenge is amplified not only because of the small number of participants and limited amount of performance data available, but also due to the lack of definition of the unique factors influencing human performance in space. These factors, called performance shaping factors in HRA terminology, are used in HRA techniques to modify basic human error probabilities in order to capture the context of an analyzed task. Many of the human error modeling techniques were developed within the context of nuclear power plants and therefore the methodologies do not address spaceflight factors such as the effects of microgravity and longer duration missions. This presentation will describe the types of human error risks which have shown up as risk drivers in the Shuttle PRA which may be applicable to commercial space flight. As with other large PRAs of complex machines, human error in the Shuttle PRA proved to be an important contributor (~12 percent) to LOCV. An existing HRA technique was adapted for use in the Shuttle PRA, but additional guidance and improvements are needed to make the HRA task in space-related PRAs easier and more accurate. Therefore, this presentation will also outline plans for expanding current HRA methodology to more explicitly cover spaceflight performance shaping factors.

Hamlin, Teri↗

DOE's Environmental Management Site-Specific Advisory Board: The Roles, Work, and Assessment of the Constituent Local Boards - 13587

The charter for the Department of Energy's Environmental Management (EM) Site-Specific Advisory Board (SSAB) was approved under the Federal Advisory Committee Act (FACA) in 1994. With a unique mandate to provide public input on issues associated with the cleanup of nuclear legacy sites in the U.S., the EM SSAB comprises eight local boards, which are based at major EM sites. While each board is unique to the community in which it is located and reflects the diversity of the local population, the boards are governed by FACA, related regulations, and DOE policies that are intended to standardize agency advisory board operations. The EM SSAB local boards are made up of a diverse group of citizens who want to understand the mission and goals of the EM program and to help EM achieve those goals for the benefit of their communities. Some are quite passionate about their mission; others need to be coaxed into active participation. Maintaining productive relationships and a supportive environment for effective board operations is the challenge of board management for DOE EM and the board members themselves. DOE draws on research findings and best practices literature from academics and practitioners in the field of public involvement in its board management practices. The EM SSAB is also evaluated annually under the law to ensure that the investment of taxpayer dollars in the board is warranted in light of the contributions of the board. Further evaluation takes place at the agency and site levels in order to identify what aspects of board functioning the agency and board members find important to its success and to address areas where improvement is needed. Board contributions, compliance factors, and measurable outcomes related to board products and process areas are key to agency commitment to ongoing support of the boards and to participant satisfaction and thus continued member involvement. In addition to evaluation of these factors in improving board effectiveness, the agency draws on the experience of members to create best practices for the EM SSAB, as a unique form of public involvement. Four areas that have been identified by local board Chairpersons as important to their local board operations are - Enhancing communication between technical and non-technical board members; - Building on common ground toward recommendations; - Public involvement in EM SSAB local board activities; - The EM SSAB annual work plan process. The first three areas are addressed below by current or former chairpersons of the EM SSAB: Ralph Phelps, former Chairperson of the Northern New Mexico Citizens' Advisory Board; Susan Leckband, former Chairperson and current Vice Chairperson of the Hanford Advisory Board; and Val Francis, Vice Chairperson of the Portsmouth (PORTS) SSAB. In addition, Eric Roberts, facilitator of the PORTS SSAB, has contributed to the section on public involvement. In a separate paper for this session, Ralph Young, Chairperson of the Paducah Citizens' Advisory Board addresses the EM SSAB annual work plan process. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Mesoscale modeling and semi-analytical approach for the microstructure-aware effective thermal conductivity of porous polygranular materials

Here we established a comprehensive modeling approach for investigating the microstructure-aware effective thermal conductivity ($κ_{eff}$) for porous microstructures containing solid particles and gaseous pores. Our approach combines the mesoscale computational modeling framework and the semi-analytical method, allowing for efficient prediction of $κ_{eff}$ for realistic porous microstructures, while considering complicated microstructural thermal conduction pathways effectively in the prediction. We used the diffuse-interface mesoscale computational model to generate extensive simulated $κ_{eff}$ data for realistic digital representations of microstructures with wide ranges of porosity ($f_p$), thermal conductivity of the gas phase ($κ_g$), and thermal conductivity of the solid phase ($κ_s$). From the simulated data, we identified two property variation regimes for $κ_{eff}$: (1) a slow $κ_{eff}$ increase for $κ_s ~ κ_g$; and (2) a faster $κ_{eff}$ increase for $κ_s \gg κ_g$. To capture the key features of the relationship between the microstructure and $κ_{eff}$, we derived a semi-analytical model by introducing structure and intensification factors. The two new factors incorporate the calibrated effective contribution of the solid volume with $κ_s$ and additional interfacial effects into the prediction of $κ_{eff}$, respectively, allowing for consideration of parallel, serial, and interfacial conduction mechanisms effectively. Using the selected simulation data, we quantified key model parameters within the semi-analytical model and verified that the parameterized model exhibits excellent agreement with simulated $κ_{eff}$ for the entire range of the parameter space.

36 MATERIALS SCIENCE↗

Experimental Comparison of Piezoelectric and Magnetostrictive Shunt Dampers

A novel mechanism called the vibration ring is being developed to enable energy conversion elements to be incorporated into the driveline of a helicopter or other rotating machines. Unwanted vibration is transduced into electrical energy, which provides a damping effect on the driveline. The generated electrical energy may also be used to power other devices (e.g., health monitoring sensors). PZT (piezoceramic) and PMN-30PT (single crystal) stacks, as well as a Tb_0.3 Dy_0.7 Fe_1.92 (Terfenol-D) rod with a bias magnet array and a pickup coil, were tested as alternative energy conversion elements to use within the vibration ring. They were tuned for broadband damping using shunt resistors, and dynamic compression testing was conducted in a high-speed load frame. Energy conversion was experimentally optimized at 750Hz by tuning the applied bias stress and resistance values. Dynamic testing was conducted up to 1000Hz to determine the effective compressive modulus, shunt loss factor, internal loss factor, and total loss factor. Some of the trends of modulus and internal loss factor versus frequency were unexplained. The single crystal device exhibited the greatest shunt loss factor whereas the Terfenol-D device had the highest internal and total loss factors. Simulations revealed that internal losses in the Terfenol-D device were elevated by eddy current effects, and an improved magnetic circuit could enhance its shunt damping capabilities. Alternatively, the Terfenol-D device may be simplified to utilize only the eddy current dissipation mechanism (no pickup coil or shunt) to create broadband damping.

energy conversion↗

Experimental Comparison of Piezoelectric and Magnetostrictive Shunt Dampers

A novel mechanism called the vibration ring is being developed to enable energy conversion elements to be incorporated into the driveline of a helicopter or other rotating machines. Unwanted vibration is transduced into electrical energy, which provides a damping effect on the driveline. The generated electrical energy may also be used to power other devices (e.g., health monitoring sensors). PZT (piezoceramic) and PMN-30%PT (single crystal) stacks, as well as a Tb_0.3 Dy_0.7 Fe_1.92 (Terfenol-D) rod with a bias magnet array and a pickup coil, were tested as alternative energy conversion elements to use within the vibration ring. They were tuned for broadband damping using shunt resistors, and dynamic compression testing was conducted in a high-speed load frame. Energy conversion was experimentally optimized at 750Hz by tuning the applied bias stress and resistance values. Dynamic testing was conducted up to 1000Hz to determine the effective compressive modulus, shunt loss factor, internal loss factor, and total loss factor. Some of the trends of modulus and internal loss factor versus frequency were unexplained. The single crystal device exhibited the greatest shunt loss factor whereas the Terfenol-D device had the highest internal and total loss factors. Simulations revealed that internal losses in the Terfenol-D device were elevated by eddy current effects, and an improved magnetic circuit could enhance its shunt damping capabilities. Alternatively, the Terfenol-D device may be simplified to utilize only the eddy current dissipation mechanism (no pickup coil or shunt) to create broadband damping.

piezoelectric↗

NGF induces adult stem Leydig cells to proliferate and differentiate during Leydig cell regeneration

Highlights: •Nerve growth factor has shown significant changes on mRNA levels during Adult Leydig cells regeneration. •We established the organ culture model of rat seminiferous tubules with ethane dimethyl sulphonate (EDS) treatment. •Nerve growth factor has shown proliferation and differentiation-promoting effects on Adult stem Leydig cells. •Nerve growth factor induces progenitor Leydig cells to proliferate and differentiate and immature Leydig cells to proliferate. -- Abstract: Nerve growth factor (NGF) has been reported to be involved in male reproductive physiology. However, few reports have described the activity of NGF during Leydig cell development. The objective of the present study was to examine the role of NGF during stem-Leydig-cell (SLC) regeneration. We investigated the effects of NGF on Leydig-cell (LC) regeneration by measuring mRNA levels in the adult rat testis after ethane dimethanesulfonate (EDS) treatment. Furthermore, we used the established organ culture model of rat seminiferous tubules to examine the regulation of NGF during SLC proliferation and differentiation using EdU staining, real-time PCR and western blotting. Progenitor Leydig cells (PLCs) and immature Leydig cells (ILCs) were also used to investigate the effects of NGF on LCs at different developmental stages. NGF mRNA levels changed significantly during Leydig-cell regeneration in vivo. In vitro, NGF significantly promoted the proliferation of stem Leydig cells and also induced steroidogenic enzyme gene expression and 3β-HSD protein expression. The data from PLCs and ILCs showed that NGF could increase Cyclin D1 and Hsd 17b3 mRNA levels in PLCs and Cyclin D1 mRNA levels in ILCs. These results indicate that NGF may play an important role during LC regeneration by regulating the proliferation and differentiation of LCs at different developmental stages, from SLCs to PLCs and from PLCs to ILCs. The discovery of this effect of NGF on Leydig cells will provide useful information for developing new potential therapies for PADAM (Partial Androgen Deficiency in the Aging Male)

60 APPLIED LIFE SCIENCES↗

An analysis of a separation bubble transition criterion at low Reynolds numbers

Factors which influence the criterion governing the length of the laminar region of a separation bubble on an airfoil at low Re were investigated. The criterion is the onset of separation when a critical Re value is surpassed. Wind tunnel data were gathered for the flow around a NACA 66(3)-018 airfoil at Re from 50,000-200,000. The data were taken with either hot-wire anemometers or pressure taps. The value of the critical Re was influenced by the chord Re, the angle of attack and the level of turbulence in the free stream. However, the turbulence levels examined, up to 0.184 percent, did not greatly affect the critical Re. Further characterizations of the effects of the three factors on the critical Re are necessary before the important features of separation bubbles can be identified with an acceptable level of certainty.

Schmidt, G. S.↗

Effect of temperature on microstructure and mechanical properties of ECAPed (TiB + La2O3)/Ti-6Al-4V composites

Highlights: • Dynamic recrystallization resulted in ultrafine grains near TiB interface region. • Tensile strength of ECAPed composites increased by up to 18%. • The average aspect ratio of TiB reduced with increasing ECAP temperature. • Interface debonding of TiB led to crack propagation and low ductility. TiB short fibers and La{sub 2}O{sub 3} particles reinforced titanium matrix composites (TMCs) were successfully equal-channel angular pressed (ECAPed) at 600 °C–900 °C. The effect of ECAP temperature on the microstructure and mechanical properties of the TMCs was investigated. The results indicated that dislocation tangling formed cell structures in matrix at lower ECAP temperature. In contrast, continuous dynamic recrystallization occurred at higher ECAP temperature, and promoted the formation of numerous new ultrafine grains. The average aspect ratio of TiB short fibers decreased with increasing ECAP temperature, which induced interfacial debonding. The tensile strength of TMCs ECAPed at 800 °C was up to 1128 MPa, which was 18% higher than the as-received composites. Interfacial debonding led TiB short fibers in low aspect ratios disabled to bear load, while the formation of ultrafine grains increased the strength of TMCs. The coupling of these two factors resulted in little effect of ECAP temperature on the tensile strength. However, the elongation of ECAPed TMCs generally decreased due to the loss of strain hardening capacity. Stress concentration tended to occur around the tips of TiB short fibers due to the interfacial debonding and cause crack propagation. It led to the premature fracture and low ductility.

36 MATERIALS SCIENCE↗

Analysis of nucleon electromagnetic form factors from light-front holographic QCD: The spacelike region

We present a comprehensive analysis of the space-like nucleon electromagnetic form factors and their flavor decomposition within the framework of light-front holographic QCD. We show that the inclusion of the higher Fock components $|{qqqq\bar{q}}$ has a significant effect on the spin-flip elastic Pauli form factor and almost zero effect on the spin-conserving Dirac form factor. We present light-front holographic QCD results for the proton and neutron form factors at any momentum transfer range, including asymptotic predictions, and show that our results agree with the available experimental data with high accuracy. In order to correctly describe the Pauli form factor we need an admixture of a five quark state of about 30$\%$ in the proton and about 40$\%$ in the neutron. We also extract the nucleon charge and magnetic radii and perform a flavor decomposition of the nucleon electromagnetic form factors. The free parameters needed to describe the experimental nucleon form factors are very few: two parameters for the probabilities of higher Fock states for the spin-flip form factor and a phenomenological parameter $r$, required to account for possible SU(6) spin-flavor symmetry breaking effects in the neutron, whereas the Pauli form factors are normalized to the experimental values of the anomalous magnetic moments. As a result, the covariant spin structure for the Dirac and Pauli nucleon form factors prescribed by AdS$_5$ semiclassical gravity incorporates the correct twist scaling behavior from hard scattering and also leads to vector dominance at low energy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

EPAC expression and function in cardiac fibroblasts and myofibroblasts

In the heart, cardiac fibroblasts (CF) and cardiac myofibroblasts (CMF) are the main cells responsible for wound healing after cardiac insult. Exchange protein activated by cAMP (EPAC) is a downstream effector of cAMP, and it has been not completely studied on CF. Moreover, in CMF, which are the main cells responsible for cardiac healing, EPAC expression and function are unknown. We evaluated in both CF and CMF the effect of transforming growth factor β1 (TGF-β1) on EPAC-1 expression. We also studied the EPAC involvement on collagen synthesis, adhesion, migration and collagen gel contraction. Method: Rat neonatal CF and CMF were treated with TGF-β1 at different times and concentrations. EPAC-1 protein levels and Rap1 activation were measured by western blot and pull down assay respectively. EPAC cellular functions were determined by adhesion, migration and collagen gel contraction assay; and collagen expression was determined by western blot. Results: TGF-β1 through Smad and JNK significantly reduced EPAC-1 expression in CF, while in CMF this cytokine increased EPAC-1 expression through ERK1/2, JNK, p38, AKT and Smad3. EPAC activation was able to induce higher Rap1-GTP levels in CMF than in CF. EPAC and PKA, both cAMP effectors, promoted CF and CMF adhesion on fibronectin, as well as CF migration; however, this effect was not observed in CMF. EPAC but not PKA activation mediated collagen gel contraction in CF, while in CMF both PKA and EPAC mediated collagen gel contraction. Finally, the EPAC and PKA activation reduced collagen synthesis in CF and CMF. Conclusion: TGF-β1 differentially regulates the expression of EPAC in CF and CMF; and EPAC regulates differentially CF and CMF functions associated with cardiac remodeling. - Highlights: • TGF-β1 regulates EPAC-1 expression in cardiac fibroblast and myofibroblast. • Rap-1GTP levels are higher in cardiac myofibroblast than fibroblast. • EPAC-1 controls adhesion, migration and collagen synthesis in cardiac fibroblast. • PKA regulates collagen gel contraction in cardiac myofibroblast.

60 APPLIED LIFE SCIENCES↗

The influence of a presence of a heavy atom on the spin-spin coupling constants between two light nuclei in organometallic compounds and halogen derivatives

The {sup 1}J{sub CC} and {sup 1}J{sub CH} spin-spin coupling constants have been calculated by means of density functional theory (DFT) for a set of derivatives of aliphatic hydrocarbons substituted with I, At, Cd, and Hg in order to evaluate the substituent and relativistic effects for these properties. The main goal was to estimate HALA (heavy-atom-on-light-atom) effects on spin-spin coupling constants and to explore the factors which may influence the HALA effect on these properties, including the nature of the heavy atom substituent and carbon hybridization. The methods applied range, in order of reduced complexity, from Dirac-Kohn-Sham method (density functional theory with four-component Dirac-Coulomb Hamiltonian), through DFT with two- and one-component Zeroth Order Regular Approximation (ZORA) Hamiltonians, to scalar non-relativistic effective core potentials with the non-relativistic Hamiltonian. Thus, we are able to compare the performance of ZORA-DFT and Dirac-Kohn-Sham methods for modelling of the HALA effects on the spin-spin coupling constants.

74 ATOMIC AND MOLECULAR PHYSICS↗

Cast Stone Formulation At Higher Sodium Concentrations

A low temperature waste form known as Cast Stone is being considered to provide supplemental Low Activity Waste (LAW) immobilization capacity for the Hanford site. Formulation of Cast Stone at high sodium concentrations is of interest since a significant reduction in the necessary volume of Cast Stone and subsequent disposal costs could be achieved if an acceptable waste form can be produced with a high sodium molarity salt solution combined with a high water to premix (or dry blend) ratio. The objectives of this study were to evaluate the factors involved with increasing the sodium concentration in Cast Stone, including production and performance properties and the retention and release of specific components of interest. Three factors were identified for the experimental matrix: the concentration of sodium in the simulated salt solution, the water to premix ratio, and the blast furnace slag portion of the premix. The salt solution simulants used in this study were formulated to represent the overall average waste composition. The cement, blast furnace slag, and fly ash were sourced from a supplier in the Hanford area in order to be representative. The test mixes were prepared in the laboratory and fresh properties were measured. Fresh density increased with increasing sodium molarity and with decreasing water to premix ratio, as expected given the individual densities of these components. Rheology measurements showed that all of the test mixes produced very fluid slurries. The fresh density and rheology data are of potential value in designing a future Cast Stone production facility. Standing water and density gradient testing showed that settling is not of particular concern for the high sodium compositions studied. Heat of hydration measurements may provide some insight into the reactions that occur within the test mixes, which may in turn be related to the properties and performance of the waste form. These measurements showed that increased sodium concentration in the salt solution reduced the time to peak heat flow, and reducing the amount of slag in the premix increased the time to peak heat flow. These observations may help to describe some of the cured properties of the samples, in particular the differences in compressive strength observed after 28 and 90 days of curing. Samples were cured for at least 28 days at ambient temperature in the laboratory prior to cured properties analyses. The low activity waste form for disposal at the Hanford Site is required to have a compressive strength of at least 500 psi. After 28 days of curing, several of the test mixes had mean compressive strengths that were below the 500 psi requirement. Higher sodium concentrations and higher water to premix ratios led to reduced compressive strength. Higher fly ash concentrations decreased the compressive strength after 28 days of curing. This may be explained in that the cementitious phases matured more quickly in the mixes with higher concentrations of slag, as evidenced by the data for the time to peak heat generation. All of the test mixes exhibited higher mean compressive strengths after 90 days of curing, with only one composition having a mean compressive strength of less than 500 psi. Leach indices were determined for the test mixes for contaminants of interest. The leaching performance of the mixes evaluated in this study was not particularly sensitive to the factors used in the experimental design. This may be beneficial in demonstrating that the performance of the waste form is robust with respect to changes in the mix composition. The results of this study demonstrate the potential to achieve significantly higher waste loadings in Cast Stone and other low temperature, cementitious waste forms. Additional work is needed to elucidate the hydration mechanisms occurring in Cast Stone formulated with highly concentrated salt solutions since these reactions are responsible for determining the performance of the cured waste form. The thermal analyses completed in this study provide some preliminary insight, although the limited range of the factors in the test matrix hindered the identification of individual component effects. Future work should involve broader factor ranges to identify the roles played by each of the components in the mix via thermal analyses, analytical microscopy, and characterization of phase formation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Cast Stone Formulation At Higher Sodium Concentrations

A low temperature waste form known as Cast Stone is being considered to provide supplemental Low Activity Waste (LAW) immobilization capacity for the Hanford site. Formulation of Cast Stone at high sodium concentrations is of interest since a significant reduction in the necessary volume of Cast Stone and subsequent disposal costs could be achieved if an acceptable waste form can be produced with a high sodium molarity salt solution combined with a high water to premix (or dry blend) ratio. The objectives of this study were to evaluate the factors involved with increasing the sodium concentration in Cast Stone, including production and performance properties and the retention and release of specific components of interest. Three factors were identified for the experimental matrix: the concentration of sodium in the simulated salt solution, the water to premix ratio, and the blast furnace slag portion of the premix. The salt solution simulants used in this study were formulated to represent the overall average waste composition. The cement, blast furnace slag, and fly ash were sourced from a supplier in the Hanford area in order to be representative. The test mixes were prepared in the laboratory and fresh properties were measured. Fresh density increased with increasing sodium molarity and with decreasing water to premix ratio, as expected given the individual densities of these components. Rheology measurements showed that all of the test mixes produced very fluid slurries. The fresh density and rheology data are of potential value in designing a future Cast Stone production facility. Standing water and density gradient testing showed that settling is not of particular concern for the high sodium compositions studied. Heat of hydration measurements may provide some insight into the reactions that occur within the test mixes, which may in turn be related to the properties and performance of the waste form. These measurements showed that increased sodium concentration in the salt solution reduced the time to peak heat flow, and reducing the amount of slag in the premix increased the time to peak heat flow. These observations may help to describe some of the cured properties of the samples, in particular the differences in compressive strength observed after 28 and 90 days of curing. Samples were cured for at least 28 days at ambient temperature in the laboratory prior to cured properties analyses. The low activity waste form for disposal at the Hanford Site is required to have a compressive strength of at least 500 psi. After 28 days of curing, several of the test mixes had mean compressive strengths that were below the 500 psi requirement. Higher sodium concentrations and higher water to premix ratios led to reduced compressive strength. Higher fly ash concentrations decreased the compressive strength after 28 days of curing. This may be explained in that the cementitious phases matured more quickly in the mixes with higher concentrations of slag, as evidenced by the data for the time to peak heat generation. All of the test mixes exhibited higher mean compressive strengths after 90 days of curing, with only one composition having a mean compressive strength of less than 500 psi. Leach indices were determined for the test mixes for contaminants of interest. The leaching performance of the mixes evaluated in this study was not particularly sensitive to the factors used in the experimental design. This may be beneficial in demonstrating that the performance of the waste form is robust with respect to changes in the mix composition. The results of this study demonstrate the potential to achieve significantly higher waste loadings in Cast Stone and other low temperature, cementitious waste forms. Additional work is needed to elucidate the hydration mechanisms occurring in Cast Stone formulated with highly concentrated salt solutions since these reactions are responsible for determining the performance of the cured waste form. The thermal analyses completed in this study provide some preliminary insight, although the limited range of the factors in the test matrix hindered the identification of individual component effects. Future work should involve broader factor ranges to identify the roles played by each of the components in the mix via thermal analyses, analytical microscopy, and characterization of phase formation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Cast Stone Formulation At Higher Sodium Concentrations

A low temperature waste form known as Cast Stone is being considered to provide supplemental Low Activity Waste (LAW) immobilization capacity for the Hanford site. Formulation of Cast Stone at high sodium concentrations is of interest since a significant reduction in the necessary volume of Cast Stone and subsequent disposal costs could be achieved if an acceptable waste form can be produced with a high sodium molarity salt solution combined with a high water to premix (or dry blend) ratio. The objectives of this study were to evaluate the factors involved with increasing the sodium concentration in Cast Stone, including production and performance properties and the retention and release of specific components of interest. Three factors were identified for the experimental matrix: the concentration of sodium in the simulated salt solution, the water to premix ratio, and the blast furnace slag portion of the premix. The salt solution simulants used in this study were formulated to represent the overall average waste composition. The cement, blast furnace slag, and fly ash were sourced from a supplier in the Hanford area in order to be representative. The test mixes were prepared in the laboratory and fresh properties were measured. Fresh density increased with increasing sodium molarity and with decreasing water to premix ratio, as expected given the individual densities of these components. Rheology measurements showed that all of the test mixes produced very fluid slurries. The fresh density and rheology data are of potential value in designing a future Cast Stone production facility. Standing water and density gradient testing showed that settling is not of particular concern for the high sodium compositions studied. Heat of hydration measurements may provide some insight into the reactions that occur within the test mixes, which may in turn be related to the properties and performance of the waste form. These measurements showed that increased sodium concentration in the salt solution reduced the time to peak heat flow, and reducing the amount of slag in the premix increased the time to peak heat flow. These observations may help to describe some of the cured properties of the samples, in particular the differences in compressive strength observed after 28 and 90 days of curing. Samples were cured for at least 28 days at ambient temperature in the laboratory prior to cured properties analyses. The low activity waste form for disposal at the Hanford Site is required to have a compressive strength of at least 500 psi. After 28 days of curing, several of the test mixes had mean compressive strengths that were below the 500 psi requirement. Higher sodium concentrations and higher water to premix ratios led to reduced compressive strength. Higher fly ash concentrations decreased the compressive strength after 28 days of curing. This may be explained in that the cementitious phases matured more quickly in the mixes with higher concentrations of slag, as evidenced by the data for the time to peak heat generation. All of the test mixes exhibited higher mean compressive strengths after 90 days of curing, with only one composition having a mean compressive strength of less than 500 psi. Leachability indices were determined for the test mixes for contaminants of interest. The leaching performance of the mixes evaluated in this study was not particularly sensitive to the factors used in the experimental design. This may be beneficial in demonstrating that the performance of the waste form is robust with respect to changes in the mix composition. The results of this study demonstrate the potential to achieve significantly higher waste loadings in Cast Stone and other low temperature, cementitious waste forms. Additional work is needed to elucidate the hydration mechanisms occurring in Cast Stone formulated with highly concentrated salt solutions since these reactions are responsible for determining the performance of the cured waste form. The thermal analyses completed in this study provide some preliminary insight, although the limited range of the factors in the test matrix hindered the identification of individual component effects. Future work should involve broader factor ranges to identify the roles played by each of the components in the mix via thermal analyses, analytical microscopy, and characterization of phase formation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Relativistically Induced Transparency in Plasma (Final Research Report)

The major goal of this project was to study the process of relativistic transparency in plasmas. This process occurs when a very high intensity laser pulse interacts with a plasma. The electric field of the laser oscillates the electron speeds approaching the speed of light, increasing the effective mass of the electrons by the time-averaged Lorentz factor <γ>. The increase in the effective mass alters the critical density, the density at which the plasma becomes opaque to the electromagnetic wave of the laser. This project used experiments and particle-in-cell simulations to study this process in ultra-thin foil interactions. Experiments were performed through the LaserNetUS program on the Ohio State University laser system Scarlet. The transmitted and reflected light was studied as a function of the target thickness, the near-field profiles, the total energy and pulse duration were measured. Particle-in-cell simulations, using the OSIRIS code were used to model the interaction and better understand the dynamics. The results of both show current relativistic transparency theory is insufficient to predict the results, this is likely because the theories do not account for the laser energy absorption into the target and global plasma fields.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗