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At least 937 records · Page 52

Gravitational instability of polytropic spheres containing region of trapped null geodesics: a possible explanation of central supermassive black holes in galactic halos

We study behaviour of gravitational waves in the recently introduced general relativistic polytropic spheres containing a region of trapped null geodesics extended around radius of the stable null circular geodesic that can exist for the polytropic index N > 2.138 and the relativistic parameter, giving ratio of the central pressure p {sub c} to the central energy density ρ{sub c}, higher than σ = 0.677. In the trapping zones of such polytropes, the effective potential of the axial gravitational wave perturbations resembles those related to the ultracompact uniform density objects, giving thus similar long-lived axial gravitational modes. These long-lived linear perturbations are related to the stable circular null geodesic and due to additional non-linear phenomena could lead to conversion of the trapping zone to a black hole. We give in the eikonal limit examples of the long-lived gravitational modes, their oscillatory frequencies and slow damping rates, for the trapping zones of the polytropes with N element of (2.138,4). However, in the trapping polytropes the long-lived damped modes exist only for very large values of the multipole number ℓ > 50, while for smaller values of ℓ the numerical calculations indicate existence of fast growing unstable axial gravitational modes. We demonstrate that for polytropes with N ≥ 3.78, the trapping region is by many orders smaller than extension of the polytrope, and the mass contained in the trapping zone is about 10{sup −3} of the total mass of the polytrope. Therefore, the gravitational instability of such trapping zones could serve as a model explaining creation of central supermassive black holes in galactic halos or galaxy clusters.

79 ASTRONOMY AND ASTROPHYSICS↗

The CRISPR-associated Cas4 protein Pcal_0546 from Pyrobaculum calidifontis contains a [2Fe-2S] cluster: crystal structure and nuclease activity

Cas4 nucleases constitute a core family of CRISPR (Clustered Regularly Interspaced Short Palindromic Repeats) associated proteins, but little is known about their structure and activity. Here we report the crystal structure of the Cas4 protein Pcal 0546 from Pyrobaculum calidifontis, which revealed a monomeric protein with a RecB-like fold and one [2Fe-2S] cluster coordinated by four conserved Cys residues. Pcal 0546 exhibits metal-dependent 5 to 3 exonuclease activity against ssDNA substrates, whereas the Cas4 protein SSO1391 from Sulfolobus solfataricus can cleave ssDNA in both the 5 to 3 and 3 to 5 directions. The active site of Pcal 0546 contains a bound metal ion coordinated by the side chains of Asp123, Glu136, His146, and the main chain carbonyl of Ile137. Site-directed mutagenesis of Pcal 0546 and SSO1391 revealed that the residues of RecB motifs II, III and QhXXY are critical for nuclease activity, whereas mutations of the conserved Cys residues resulted in a loss of the iron-sulfur cluster, but had no effect on DNA cleavage. Our results revealed the biochemical diversity of Cas4 nucleases, which can have different oligomeric states, contain [4Fe-4S] or [2Fe-2S] clusters, and cleave single stranded DNA in different directions producing single-stranded DNA overhangs, which are potential intermediates for the synthesis of new CRISPR spacers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Biotin attachment domain-containing proteins mediate hydroxy fatty acid-dependent inhibition of acetyl CoA carboxylase

Hundreds of naturally occurring specialized fatty acids (FAs) have potential as desirable chemical feedstocks if they could be produced at large scale by crop plants; however, transgenic expression of their biosynthetic genes has generally been accompanied by dramatic reductions in oil yield. For example, expression of castor (Ricinus communis) FA hydroxylase (FAH) in the Arabidopsis thaliana FA elongation mutant fae1 resulted in a 50% reduction of FA synthesis rate that was attributed to inhibition of acetyl-CoA carboxylase (ACCase) by an undefined mechanism. Here, we tested the hypothesis that the ricinoleic acid-dependent decrease in ACCase activity is mediated by biotin attachment domain-containing (BADC) proteins. BADCs are inactive homologs of biotin carboxy carrier protein that lack a biotin cofactor and can inhibit ACCase. Arabidopsis contains three BADC genes. To reduce expression levels of BADC1 and BADC3 in fae1/FAH plants, a homozygous badc1,3/fae1/FAH line was created. The rate of FA synthesis in badc1,3/fae1/FAH seeds doubled relative to fae1/FAH, restoring it to fae1 levels, increasing both native FA and HFA accumulation. Total FA per seed, seed oil content, and seed yield per plant all increased in badc1,3/fae1/FAH, to 5.8 µg, 37%, and 162 mg, respectively, relative to 4.9 µg, 33%, and 126 mg, respectively, for fae1/FAH. Transcript levels of FA synthesis-related genes, including those encoding ACCase subunits, did not significantly differ between badc1,3/fae1/FAH and fae1/FAH. These results demonstrate that BADC1 and BADC3 mediate ricinoleic acid-dependent inhibition of FA synthesis. We propose that BADC-mediated FAS inhibition as a general mechanism that limits FA accumulation in specialized FA-accumulating seeds.

59 BASIC BIOLOGICAL SCIENCES↗

Rare isotope-containing diamond colour centres for fundamental symmetry tests

Detecting a non-zero electric dipole moment in a particle would unambiguously signify physics beyond the Standard Model. A potential pathway towards this is the detection of a nuclear Schiff moment, the magnitude of which is enhanced by the presence of nuclear octupole deformation. However, due to the low production rate of isotopes featuring such ‘pear-shaped’ nuclei, capturing, detecting and manipulating them efficiently is a crucial prerequisite. Incorporating them into synthetic diamond optical crystals can produce defects with defined, molecule-like structures and isolated electronic states within the diamond band gap, increasing capture efficiency, enabling repeated probing of even a single atom and producing narrow optical linewidths. In this study, we used density functional theory to investigate the formation, structure and electronic properties of crystal defects in diamond containing 229 ⁢Pa, a rare isotope that is predicted to have an exceptionally strong nuclear octupole deformation. In addition, we identified and studied stable lanthanide-containing defects with similar electronic structures as non-radioactive proxies to aid in experimental methods. Our findings hold promise for the existence of such defects and can contribute to the development of a quantum information processing-inspired toolbox of techniques for studying rare isotopes.

07 ISOTOPE AND RADIATION SOURCES↗

Electronic structure of the Si-containing topological Dirac semimetal CaAl 2 Si 2

There has been an upsurge in the discovery of topological quantum materials, where various topological insulators and semimetals have been theoretically predicted and experimentally observed. However, very few of them contain silicon, the most widely used element in the electronics industry. Recently, ternary compound CaA l 2 S i 2 has been predicted to be a topological Dirac semimetal, hosting Lorentz-symmetry-violating quasiparticles with a strongly tilted conical band dispersion. In this work, by using high-resolution angle-resolved photoemission spectroscopy, we investigated the comprehensive electronic structure of CaA l 2 S i 2 . A pair of topological Dirac crossings is observed along the k z direction, in good agreement with the ab initio calculations, confirming the topological Dirac semimetal nature of the compound. Our study expands the topological material family on Si-containing compounds, which have great application potential in realizing low-cost, nontoxic electronic devices with topological quantum states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Strain sensitivity of band gaps of Sn-containing semiconductors

Tuning of band gaps of semiconductors is a way to optimize materials for applications within photovoltaics or as photocatalysts. One way to achieve this is through applying strain to the materials. Here, we investigate the effect of strain on a range of Sn-containing semiconductors using density functional theory and many-body perturbation theory calculations. We find that the band gaps of bulk Sn oxides with SnO 6 octahedra are highly sensitive to volumetric strain. By applying a small isotropic strain of 2% (–2%), a decrease (increase) of band gaps as large as 0.8 to 1.0 eV are obtained. We attribute the ultrahigh strain sensitivity to the pure Sn s-state character of the conduction-band edges. Other Sn-containing compounds may show both increasing and decreasing gaps under tensile strain and we show that the behavior can be understood by analyzing the role of the Sn s states in both the valence and the conduction bands.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Search for new physics using effective field theory in 13 TeV pp collision events that contain a top quark pair and a boosted Z or Higgs boson

A data sample containing top quark pairs ($\mathrm{t\bar{t}}$) produced in association with a Lorentz-boosted Z or Higgs boson is used to search for signs of new physics using effective field theory. The data correspond to an integrated luminosity of 138 fb$^{-1}$ of proton-proton collisions produced at a center-of-mass energy of 13 TeV at the LHC and collected by the CMS experiment. Selected events contain a single lepton and hadronic jets, including two identified with the decay of bottom quarks, plus an additional large-radius jet with high transverse momentum identified as a Z or Higgs boson decaying to a bottom quark pair. Machine learning techniques are employed to discriminate between $\mathrm{t\bar{t}}$Z or $\mathrm{t\bar{t}}$H events and events from background processes, which are dominated by $\mathrm{t\bar{t}}$ + jets production. No indications of new physics are observed. The signal strengths of boosted $\mathrm{t\bar{t}}$Z and $\mathrm{t\bar{t}}$H production are measured, and upper limits are placed on the $\mathrm{t\bar{t}}$Z and $\mathrm{t\bar{t}}$H differential cross sections as functions of the Z or Higgs boson transverse momentum. The effects of new physics are probed using a framework in which the standard model is considered to be the low-energy effective field theory of a higher energy scale theory. Eight possible dimension-six operators are added to the standard model Lagrangian and their corresponding coefficients are constrained via fits to the data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Self-contained filtered density function

The filtered density function (FDF) closure is extended to a “self-contained” format to include the subgrid-scale (SGS) statistics of all of the hydro-thermo-chemical variables in turbulent flows. These are the thermodynamic pressure, the specific internal energy, the velocity vector, and the composition field. In this format, the model is comprehensive and facilitates large-eddy simulation (LES) of flows at both low and high compressibility levels. A transport equation is developed for the joint pressure-energy-velocity-composition filtered mass density function (PEVC-FMDF). In this equation, the effect of convection appears in closed form. The coupling of the hydrodynamics and thermochemistry is modeled via a set of stochastic differential equation for each of the transport variables. This yields a self-contained SGS closure. We demonstrated how LES is conducted of a turbulent shear flow with transport of a passive scalar. Finally, the consistency of the PEVC-FMDF formulation is established, and its overall predictive capability is appraised via comparison with direct numerical simulation (DNS) data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Structure of the JmjC domain-containing protein NO66 complexed with ribosomal protein Rpl8

The structure of the complex of NO66 and Rpl8 was solved in the native state and NO66 recognizes the consensus motif NHXH . Tetramerization is required for efficient substrate binding and catalysis by NO66. The JmjC domain-containing proteins belong to a large family of oxygenases possessing distinct substrate specificities which are involved in the regulation of different biological processes, such as gene transcription, RNA processing and translation. Nucleolar protein 66 (NO66) is a JmjC domain-containing protein which has been reported to be a histone demethylase and a ribosome protein 8 (Rpl8) hydroxylase. The present biochemical study confirmed the hydroxylase activity of NO66 and showed that oligomerization is required for NO66 to efficiently catalyze the hydroxylation of Rpl8. The structures of NO66{sup 176–C} complexed with Rpl8{sup 204–224} in a tetrameric form and of the mutant protein M2 in a dimeric form were solved. Based on the results of structural and biochemical analyses, the consensus sequence motif NHXH recognized by NO66 was confirmed. Several potential substrates of NO66 were found by a BLAST search according to the consensus sequence motif. When binding to substrate, the relative positions of each subunit in the NO66 tetramer shift. Oligomerization may facilitate the motion of each subunit in the NO66 tetramer and affect the catalytic activity.

36 MATERIALS SCIENCE↗

A fully contained sample holder capable of electron-yield detection at soft X-ray energies

A holder has been developed that enables electron yield-detected soft X-ray spectroscopy of fully contained samples at low temperature. Crucially, this design uses elements of the sample containment to collect ejected electrons, removing the need to expose samples directly to the vacuum environment of the spectrometer. The design is modular and should be adaptable to a number of different endstation configurations, enabling spectroscopy of air-sensitive, radioactive and vacuum-sensitive (biological) samples.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Structure of human nucleosome containing the testis-specific histone variant TSH2B

The crystal structure of human nucleosome containing the testis-specific TSH2B variant has been determined. The TSH2B Ser85 residue does not interact with H4 in the nucleosome, and induces a local structural difference between TSH2B and H2B in nucleosomes. The human histone H2B variant TSH2B is highly expressed in testis and may function in the chromatin transition during spermatogenesis. In the present study, the crystal structure of the human testis-specific nucleosome containing TSH2B was determined at 2.8 Å resolution. A local structural difference between TSH2B and canonical H2B in nucleosomes was detected around the TSH2B-specific amino-acid residue Ser85. The TSH2B Ser85 residue does not interact with H4 in the nucleosome, but in the canonical nucleosome the H2B Asn84 residue (corresponding to the TSH2B Ser85 residue) forms water-mediated hydrogen bonds with the H4 Arg78 residue. In contrast, the other TSH2B-specific amino-acid residues did not induce any significant local structural changes in the TSH2B nucleosome. These findings may provide important information for understanding how testis-specific histone variants form nucleosomes during spermatogenesis.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Demonstration of Passivation Using a Low-Temperature-Grown, Al-Containing Window Layer by HVPE

We present hydride vapor phase epitaxy (HVPE) growth of single junction GaAs solar cells with Al0.4Ga0.6As front passivation layers at a growth temperature of 650°C. Devices achieved a short circuit current density of ~27.52 mA/cm2 after anti-reflection coating, similar to devices that used GaInP windows with the same bandgap, indicating that AlGaAs provides front-surface passivation resulting in a low interface recombination velocity. The low temperature growth of Al containing III-V materials by HVPE allows for compatibility with In-containing alloys in high-efficiency III-V device structures for various applications.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Ultrasonic Measurements of Temperature Distribution and Heat Fluxes Across Containments of Extreme Environments

Extreme conditions are common in energy conversion, material processing, nuclear, airspace, and military applications. In such environments, the most hardened insertion sensors do not perform reliably for long. Ultrasonic measurements, on the other hand, can be acquired noninvasively, with sensitive components kept away from the damaging environment. We have previously developed the ultrasonic method for measuring the spatial distribution of temperatures in solid materials applicable in the cases when large thermal gradients are present. In the developed approach, we use the echogenically segmented ultrasound propagation path, structured to contain engineered or naturally occurring echogenic features, to produce a train of echoes in response to an external pulse of ultrasonic excitation. The delays between the echoes, which encode the information on the temperature distribution in the corresponding segments, is used to reconstruct unknown temperature profile. In this paper, we outline the results of pilot-scale testing of the developed approach and demonstrate its application to the measurements of the temperature distribution across the containment of a high-temperature combustion process. The validation results show that the estimated temperature profile is correctly captured, and the measurement accuracy can be comparable with traditional insertion sensors, such as thermocouples. Overall, the testing has confirmed that the developed approach has matured to become an attractive alternative to conventional sensing in solving challenging problems of long-term temperature measurements in extreme environments. Heat fluxes and thermal stresses in the structure can then be characterized noninvasively using the measured temperature distribution as the basis.

Jia, Yunlu↗

Microstructure and bonding between calcium aluminate cement‐containing gahnite–alumina matrix and refractory aggregates

Calcium aluminate cement enhances the thermomechanical properties of refractory castables through the formation of acicular calcium hexaluminate (CaO·6Al 2 O 3 ), Ca 2 Mg 2 Al 28 O 46 (CAM-I), and CaMg 2 Al 16 O 27 (CAM-II) phases in MgO- or MgAl 2 O 4 -containing castables. The compatibility of CA 6 with gahnite (ZnAl 2 O 4 ), and acicular Ca 2 Zn 2 Al 28 O 46 (CAZ-I) and CaZn 2 Al 16 O 27 (CAZ-II) phases formation have been previously reported. Here, in this work, the interaction between a CAC binder containing ZnAl 2 O 4 -Al 2 O 3 matrix with commonly used refractory aggregates such as tabular alumina (TA), alumina-rich (AR90, AR78) and stoichiometric (SM72) MgAl 2 O 4 spinels, and fused and dead-burned magnesia (FM, DBM, respectively) were investigated at 1650°C for 5 h. Microstructural analysis, using digital microscopy, scanning electron microscopy, and energy dispersive spectroscopy, revealed the formation of acicular CaZn 0.18 Al 11.82 O 18.91 , CAZ-I and CAZ-II grains, and strong interfacial bonding between the matrix and TA and spinel aggregates. FM and DBM were found to debond from the matrix. Thick interface layers were observed between the matrix and all the aggregates but TA. Null hypothesis significance testing (NHST) shows that the difference in the number of acicular grains between the interface zone and the bulk matrix (Z) is statistically significant for AR90/Z, SM72/Z, FM/Z, and DBM/Z interfaces, but not significant for TA/Z and AR78/Z. The role of the aggregates’ chemistry on the interfacial bonding and microstructure evolution is discussed.

Ramteke, Rajat Durgesh [Univ. of Alabama, Birmingh↗

Fabrication, Modeling, and Testing of a Prototype Thermal Energy Storage Containment

Increasing penetration of variable renewable energy resources requires the deployment of energy storage at a range of durations. Long-duration energy storage (LDES) technologies will fulfill the need to firm variable renewable energy resource output year round; lithium-ion batteries are uneconomical at these durations. Thermal energy storage (TES) is one promising technology for LDES applications because of its siting flexibility and ease of scaling. Particle-based TES systems use low-cost solid particles that have higher temperature limits than the molten salts used in traditional concentrated solar power systems. A key component in particle-based TES systems is the containment silo for the high-temperature (>1100 degrees C) particles. This study combined experimental testing and computational modeling methods to design and characterize the performance of a particle containment silo for LDES applications. A laboratory-scale silo prototype was built and validated the congruent transient finite element analysis (FEA) model. The performance of a commercial-scale silo was then characterized using the validated model. The commercial-scale model predicted a storage efficiency above 95% after 5 days of storage with a design storage temperature of 1200 degrees C. Insulation material and concrete temperature limits were considered as well. The validation of the methodology means the FEA model can simulate a range of scenarios for future applications. This work supports the development of a promising LDES technology with implications for grid-scale electrical energy storage, but also for thermal energy storage for industrial process heating applications.

clean energy↗

High-Temperature Thermophysical Property Measurement of Proposed Gen3 CSP Containment Materials

Abstract The US Department of Energy (DOE) has sponsored an initiative to improve the thermal efficiency of Concentrating Solar Power (CSP) systems. To approach parity with conventional fossil fuel-based electricity generation, the operating temperature of the CSP power cycle must exceed 700°C with integrated thermal energy storage. The materials used to house this high-temperature heat transfer media must be thermally stable and corrosion resistant. However, the temperature-dependent thermophysical properties of commonly used containment materials (nickel alloys and alumina-based firebricks) are either not well known or poorly understood. In this report, the high-temperature thermal properties of thirteen (13) candidate containment materials proposed by the CSP community are tested using laser flash analysis and differential scanning calorimetry.

Brankovic, Sonja A.↗

Building flexibility into the design of a pilot plant for the immobilisation of Pu containing residues and wastes

NNL and ANSTO on behalf of Sellafield Ltd have developed a process for the immobilisation of a range of Pu containing wastes and residues. Following the inactive demonstration of the technology the project is now focusing on the design of an active pilot plant capable of validating the technology and ultimately immobilising a waste inventory containing around 100 kg plutonium. The diverse wastes from which it is uneconomic to recover Pu, require a flexible process with a wide product envelope capable of producing a wasteform suitable for disposal in a UK repository. Ceramics, glass ceramics and metal encapsulated waste-forms can be delivered by the process line which incorporates size reduction and heat treatment techniques with the aim of feeding a hot isostatic pressing process designed to deliver the highly durable waste-forms. Following a demonstration of feasibility, flowsheet development is progressing to support the design which has the aim of a fully flexible facility based in NNL's Central Laboratory on the Sellafield site. Optimisation of the size reduction, mixing and blending operations is being carried out using UO{sub 2} as a surrogate for PuO{sub 2}. This work is supporting the potential of using an enhanced glass ceramic formulation in place of the full ceramic with the aim of simplifying glove box operations. Heat treatment and subsequent HIPing strategies are being explored in order to eliminate any carbon from the feeds without increasing the valence state of the uranium present in some of the inventory which can result in an unwanted increase in wasteform volumes. The HIP and ancillary systems are being specifically designed to meet the requirements of the Sellafield site and within the constraints of the NNL Central Laboratory. The HIP is being configured to produce consolidated product cans consistent with the requirements of ongoing storage and disposal. With the aim of one cycle per day, the facility will deliver its mission of immobilising the identified waste and residues inventory within 3 years. During that period it will also be used to demonstrate the potential of this technology to deliver the immobilisation of a proportion of the UK plutonium stockpile that may not be suitable for use as MOx fuel should that decision be taken. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Development and testing of techniques for in-ground stabilization, size reduction, and safe removal of radioactive wastes stored in containments buried in ground

Since the 1950's radioactive wastes from a number of laboratories have been stored below ground at the Hanford site, Washington State, USA, in vertical pipe units (VPUs) made of five 200 litre drums without tops or bottoms, and in caissons, made out of corrugated pipe, or concrete and typically 2,500 mm in diameter. The VPU's are buried of the order of 2,100 mm below grade, and the caissons are buried of the order of 6,000 mm below grade. The waste contains fuel pieces, fission products, and a range of chemicals used in the laboratory processes. This can include various energetic reactants such as un-reacted sodium potassium (NaK), potassium superoxide (KO{sub 2}), and picric acid, as well as quantities of other liquids. The integrity of the containments is considered to present unacceptable risks from leakage of radioactivity to the environment. This paper describes the successful development and full scale testing of in-ground augering equipment, grouting systems and removal equipment for remediation and removal of the VPUs, and the initial development work to test the utilization of the same basic augering and grouting techniques for the stabilization, size reduction and removal of caissons. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗