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At least 235 records · Page 13

Codimension-two spiral spin liquid in the effective honeycomb-lattice compound Cs 3 ⁢Fe 2 ⁢Cl 9

A codimension-two spiral spin liquid is a correlated paramagnetic state with one-dimensional ground state degeneracy hosted within a three-dimensional lattice. Here, in this work, via neutron scattering experiments and numerical simulations, we establish the existence of a codimension-two spiral spin liquid in the effective honeycomb-lattice compound Cs 3 ⁢Fe 2⁢ Cl 9 , which demonstrates an alternate path to spiral spin liquids by overcoming the long-standing impediment of weak further-neighbor interactions. In the long-range ordered regime, competing spiral and spin density wave orders emerge as a function of applied magnetic field, among which a possible order-by-disorder transition is identified.

Monte Carlo methods↗

Crystal structure of hexachlorothallate within a caesium chloride–phosphotungstate lattice Cs 9 (TlCl 6 )(PW 12 O 40 ) 2 ·9CsCl

Crystal formation of caesium thallium chloride phosphotungstates, Cs 9 (TlCl 6 )(PW 12 O 40 ) 2 ·9CsCl showcases the ability to capture and crystallize octahedral complexes via the use of polyoxometalates (POMs). The large number of caesium chlorides allows for the POM [α-PW 12 O 40 ] 3- to arrange itself in a cubic close-packing lattice extended framework, in which the voids created enable the capture of the [TlCl 6 ] 3- complex.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Accessing bands with extended quantum metric in kagome Cs 2 Ni 3 S 4 through soft chemical processing

Flat bands that do not merely arise from weak interactions can produce exotic physical properties, such as superconductivity or correlated many-body effects. The quantum metric can differentiate whether flat bands will result in correlated physics or are merely dangling bonds. A potential avenue for achieving correlated flat bands involves leveraging geometrical constraints within specific lattice structures, such as the kagome lattice; however, materials are often more complex. In these cases, quantum geometry becomes a powerful indicator of the nature of bands with small dispersions. We present a simple, soft-chemical processing route to access a flat band with an extended quantum metric below the Fermi level. By oxidizing Ni-kagome material Cs 2 Ni 3 S 4 to CsNi 3 S 4 , we see a two orders of magnitude drop in the room temperature resistance. However, CsNi 3 S 4 is still insulating, with no evidence of a phase transition. Using experimental data, density functional theory calculations, and symmetry analysis, our results suggest the emergence of a correlated insulating state of unknown origin.

Science & Technology - Other Topics↗

Monitoring Noble Gases (Xe and Kr) and Aerosols (Cs and Rb) in a Molten Salt Reactor Surrogate Off-Gas Stream Using Laser-Induced Breakdown Spectroscopy (LIBS)

In this study with surrogate materials we show that laser-induced breakdown spectroscopy (LIBS) is a robust tool with promising capability toward monitoring gaseous (Xe and Kr) and aerosol (Cs and Rb) species in an off-gas stream from a molten salt reactor (MSR). MSRs will continually evolve fission products into the cover gas flowing across the reactor headspace. The cover gas entrains Xe and Kr gases, along with aerosol particles, before passing into an off-gas treatment system. Univariate models of Xe and Kr peaks showed a strong correlation to concentration indicated by their coefficients of determination of 0.983 and 0.997, respectively. Multivariate models were built for all four analytes using partial least squares regression coupled with preprocessing steps including normalization, trimming, and/or genetic algorithm derived filters. The models were evaluated by predicting the concentrations of the analytes in four validation samples, in which all calibration models were successfully validated at a confidence interval of 99.9%. Finally, pressure controllers were used to regulate the mass flow rate of Kr flowing into the measurement cell in sinusoidal and stepwise waveforms to test the real-time monitoring capabilities of the regression models. Both univariate and partial least squares Kr models were able to successfully quantify the gas concentration in the real-time evaluation. The root mean squared error of prediction (RMSEP) values for these real-time tests were calculated to be 0.051, 0.060, and 0.121 mol% demonstrating the measurement systems’ capability to perform online monitoring with acceptable accuracy.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

MCNP calculations concerning the UW 137 Cs release event (Final Report)

This document supersedes earlier reports (LA-UR-19-32358 and LA-UR-20-22216) that discussed MCNP-calculated conversion factors (count rate per unit activity per unit area) for collimated 2”x2” NaI detectors (Ludlum model 44-10 and Thermo model SPA3) in contact with duct and plenum walls. Specifically, for duct and plenum dimensions and construction details of interest to the University of Washington ¹³⁷Cs release event. This document also corrects some of the data presented in the earlier LA-UR reports.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Radiobiological Studies Using Cs-137 Gamma or 320 kV X Rays

There are numerous self-shielded research irradiators used in various facilities throughout the United States. The irradiators employ radioactive sources containing either 137 Cs or 60 Co and the irradiators are used for a variety of radiobiological investigations involving cellular and/or animal models. A report from the National Academy of Sciences described security issues associated with particular radiation sources and the desire for their replacement with suitable X-ray irradiators. One possible replacement would be a 320 kV X-ray irradiator. The participants in this research successfully performed in vivo radiobiological studies involving mice exposed to filtered (HVL ≈ 4 mm Cu) 320 kV X rays. Two publications (one published and one submitted at the publishing of this report) documenting key findings are provided in Appendices A and B of this report. The 320 kV X rays were found suitable for in vivo (in mice) cell survival studies and are expected to be suitable for bone marrow transplantation studies using mice but this needs to be experimentally validated.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Fabrication of Low-Cost Large-Volume Ceramic A 2 HfX 6 (A= Cs or Tl, X = Cl, Br, or I) Scintillators for Gamma Ray Detection (SBIR Phase I Final Technical Report)

Scintillator crystals play an important role in the radiation detection field. Widespread use of scintillators as gamma-ray detectors is largely generated by their extensive availability and tunable properties, such high light output, high stopping power (Z eff ), fast decay time, and good proportionality. Additionally, the cost for manufacturing a scintillation detector like NaI:Tl is usually considerably lower than the cost for manufacturing a semiconductor detector like CdZnTe. Because there is no such thing as an ideal scintillation material, an application requiring certain detection characteristics may incorporate a scintillator tailored to its specific properties. The vast variety of applications and requirements necessitates more research into new scintillation materials and/or better methods of producing existing materials.The goal of this project was to grow low cost and environmentally stable inorganic transparent ceramic scintillators with excellent gamma ray resolution, excellent energy proportionality, excellent detection efficiency due to high density (>5 g/cm 3 ) and very high Z eff (55-80), and good light yields (>40,000 ph/MeV). In Phase I Xtallized Intelligence, Inc. (XI, Inc) developed a novel ceramic fabrication technique to produce low cost and environmentally stable highly efficient inorganic transparent ceramic scintillators of various dimensions. XI, Inc., collaborating with Fisk University (Fisk), investigated the scintillation properties of these new ceramic scintillators and compared them to in their single crystal counterparts. The results of this Phase I project show that successful production of high-quality inorganic halide ceramic scintillators Cs 2 HfCl 6 (CHC) and Tl 2 HfCl 6 (THC). Both ceramic CHC and THC scintillators have achieved good performance close to the performance of their single crystal counterparts. Fabricating these inorganic ceramic scintillators mitigate many issues encountered during conventional bulk crystal growth by melt methods. Additional benefits of the ceramic fabrication technique include high production yield, low production cost, fast production time, and no material waste Inorganic transparent ceramic scintillators produced in this project will enhance cost effectiveness at the instrument level based on low projected cost of the proposed compounds, as much smaller crystal sizes would be required to achieve similar efficiency as current radioisotope identification devices (RIID’s) used in homeland security applications as well as spectrometers in high energy physics applications.

36 MATERIALS SCIENCE↗

Coupled Neutronic and Thermal Hydraulic Analysis of a Natural Circulation Based Small Modular Reactor (SMR) Using VERA-CS

As part of the work supported by a US Department of Energy (DOE) Office of Nuclear Energy Gateway for Accelerated Innovation in Nuclear FY 2020 Voucher, Holtec International subsidiary SMR LLC (hereinafter referred to as Holtec) and Oak Ridge National Laboratory entered into a cooperative research and development agreement (CRADA) to develop coupled multiphysics core models of the Holtec developed small modular reactor (SMR), SMR-160. The scope of the 1 year project was to use the DOE–developed tool set, VERA, to analyze several aspects of a representative SMR-160 core design. The goals of the project were to perform the code-to-code benchmarking and to provide Holtec with a confirmatory calculations to compare against the results with the codes used in the SMR-160 design, identify and resolve areas of discrepancy between the two models to give Holtec a basis for selecting certain tool and model options, and develop a workflow so that the VERA model could be adapted easily to any future changes in the design of the SMR-160 core. The work proceeded in four phases: 1. Developing the initial VERA model based on Holtec-provided core design information; 2. Comparing VERA results with Holtec-provided calculations for the first five cycles; 3. Developing a VERA transient model based on the prior model; and 4. Training Holtec personnel on VERA and hand-off the developed models. This report summarizes at a high level the completed tasks. Details of the tasks and results are reserved for the full report, which will not be publicly released for 5 years per the terms of the CRADA. The report is titled “Coupled Neutronic and Thermal Hydraulic Analysis of a Natural Circulation Based Small Modular Reactor (SMR) using VERA-CS” and has the ORNL technical report number ORNL/TM 2021/2303 (NFE-20-08305)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Roles of Metal Promoters (Co, Cu, K, Ni, Zn, and Cs) in Microwave-Assisted Methane Dehydroaromatization to Aromatics Over Mo-Supported HZSM-5

Microwave (MW)-assisted methane dehydroaromatization (MDHA) offers methane conversion to more value-added aromatics, thus generating revenue and mitigating the flaring emission. We previously found that Mo/HZSM-5, despite offering higher aromatic yield, experienced rapid deactivation under microwave irradiation. Adding metal promoters is one of the solutions to not only modulate the reaction/deactivation pathways, but potentially modify the heating properties of modified Mo/HZSM-5 under MW-assisted MDHA. In this study, Mo/HZSM-5 was modified with various metal promoters (Co, Cu, K, Ni, Zn, and Cs) and their catalytic performance was assessed and correlated with their physical and chemical properties upon adding metal promoters.

Mai, Duy Hien↗

Synthesis and Crystal Structures of Alkali (Na, Rb, Cs) Iron Phosphate Crystals

Three alkali-containing diphosphate crystals of A FeP 2 O 7 (A = Na, Rb, Cs) were synthesized through melt-crystallization. The crystal structures were determined using single-crystal X-ray diffraction (XRD) data. The synthesized diphosphates crystallized within the P 2 1 /c space group, and the structural parameters were compared to literature data of other A FeP 2 O 7 crystals within the P 2 1 /c space group.

36 MATERIALS SCIENCE↗

CO and CS in the Orion Nebula

The reported observations were made with an 11-m radio telescope. The CO map considered has a peak near the position of the infrared continuum source. There is little correlation between the CO contours and any optical structure. The CO contours show a pronounced north-south orientation. CS was observed as a representative example of a stable molecule with a higher dipole moment than CO. Questions regarding the structure of Orion A are discussed, giving attention to various models.

Liszt, H. S.↗

Collisional excitation of interstellar molecules - Linear molecules CO, CS, OCS, and HC3N

Rates for excitation of CO, CS, OCS, and HC3N by collisions with He atoms and H2 molecules are presented. These have been obtained from extensive theoretical calculations using methods of known reliability. In general, rates necessary for modeling interstellar molecular clouds with kinetic temperatures to 100 K have been included. Methods for fitting these rates in more compact form are discussed.

Green, S.↗

Communications satellite no. 2 (CS-2)

The purpose of the Japanese CS-2 satellite is to provide national communications and industrial communications, such as special emergency and remote communications, and to contribute to the development of technology pertaining to communications satellites. Description and operating parameters of the following satellite components are presented: structure, communications system, telemetry/command system, electric power system, attitude and antenna control system, secondary propulsion system, apogee motor, framework, and heat control system.

Source record↗