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At least 883 records · Page 49

X-ray diagnostic developments in the perspective of DEMO

Soft X-ray diagnostics at present are not adequate for a burning plasma experiment, neither in term of hardware nor as diagnostic conception. Detectors have to be radiation tolerant, easily shielded, with low sensitivity to neutrons and gammas and with energy discrimination. Layout and viewing capability should be more flexible, thanks to the use also of optical devices, going toward a configuration intermediate between discrete tomography and pure imaging. The general conception of these diagnostics should therefore evolve in the direction of pattern recognition for a real time feedback. This work is focused on the diagnostic developments undertaken at the ENEA- Frascati X-ray Laboratory, following in particular three directions: gas detector for fast and advanced high density tomography, C-MOS solid state imaging detectors for slow control and X-ray polycapillary optics. GEM gas detectors in photon counting mode (noise free) were developed in the range 1-30 keV having high efficiency, high time resolution (up to microseconds), energy discrimination in bands and optical flexibility. Discrimination of X-rays, neutrons and gammas has been demonstrated, thanks to the combination of intrinsic gain and discrimination thresholds, at neutron fluxes (10{sup 7} n/s*cm{sup 2}) comparable with the expected ones at the ports of ITER. GEM detectors are also extremely flexible in the design, allowing optimization of the measurements and solutions for shielding or minimization of the effect of background radiation. Two solid state C-MOS imagers working in photon counting mode, one based on Si semiconductor (Medipix-2, range 5-30 keV) and the other one having a CdTe sensor (Pixirad, range 2-100 keV) have been characterized in laboratory. C-MOS imagers have features and performances thoroughly complementary to the GEM detector and, thanks to their higher pixel density, could be used as remote imaging detectors coupled to optics. X-ray polycapillary lenses have been therefore studied in the laboratory both as imaging optical device (full lens) or to define a line of sight (cylinder lens); the preliminary results are encouraging toward the goal of using these lenses to transport X-ray radiation far from the reactor. Reflective or diffractive X-ray optics can be also an option for tomography. A GEM detector has been installed at KSTAR and in the next future hopefully the other approaches will be tested there: once their feasibility will be demonstrated, the issue of the improvement of the radiation tolerance will be faced and the development of algorithms for data analysis as well.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Unique light-induced degradation in yellow-emitting K₂SiF₆:Mn²⁺ phosphor

Photo-induced luminescence intensity degradation in yellow-emitting K₂SiF₆:Mn²⁺ phosphor is studied using x-ray diffraction measurement, photoluminescence (PL) analysis, PL excitation (PLE) spectroscopy, PL decay analysis, and electron spin resonance (ESR) measurement. The yellow-emitting K₂SiF₆:Mn²⁺ phosphor exhibits remarkable degradation in the PL intensity under Xe lamp exposure. Coherent laser irradiation also induces degradation and its degree is in the order of He–Cd (λ = 325 nm) > Ar⁺ (488 nm) > He–Ne laser (632.8 nm). The degradation mechanism is proposed to be due to change in the valence state of manganese ions from Mn²⁺ to Mn³⁺ by the photooxidation (Mn²⁺ → Mn³⁺) or disproportionation reaction (2Mn²⁺ → Mn⁺ + Mn³⁺). The ESR measurement confirms the decreased Mn²⁺ spin density in the sample exposed with Xe lamp. The PLE spectrum suggests that the excitation of Mn³⁺ ions occurs through energy transfer upon absorption of exciting radiation by the Mn²⁺ ions. Thermal annealing of the degraded samples at ≥200 °C causes a blueshift in the PL emission band with an appearance of the Mn⁴⁺-related sharp red emission lines.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Maximum probability domains for the analysis of the microscopic structure of liquids

We introduce the concept of maximum probability domains (MPDs), developed in the context of the analysis of electronic densities, in the study of the microscopic spatial structures of liquids. The idea of locating a particle in a three dimensional region, by determining the domain where the probability of finding that, and only that, particle is maximum, gives an interesting characterization of the local structure of the liquid. The optimization procedure, required for the search of the domain of maximum probability, is carried out by the implementation of the level set method. Results for a couple of case studies are presented, to illustrate the structure of liquid water at ambient conditions and upon increasing pressure from the point of view of MPDs and to compare the information encoded in the solvation shells of sodium in water with, once again, that extracted from the MPDs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Stratification of discharge in noble gases from the viewpoint of the discrete dynamics

Based on the analysis of electron phase trajectories in sinusoidal electric fields, a new point of view on discharge stratification is proposed. It is shown that the positive column can be considered as a spatial resonator in which electric fields with a fundamental period length L{sub S} or higher mode length q/p L{sub S} establish, where p and q are integers and p > q. The fundamental mode length L{sub S} is equivalent to the distance on which electrons gain energy equal to the lowest excitation threshold. This distance determines a length of the S-striation. Unlike kinetic theory, in the presented model resonance properties of the discharge column are not connected with elastic collision energy losses. A point map is used to obtain the resonance trajectories of electrons in the phase plane. Stable points for the positions of inelastic collisions in the resonance trajectories have been found at the positions of field maxima in the case of integer ratios p/q . For non-integer ratios p/q , multiple resonance trajectories arise according to a more complex stability criterion. From this point of view, S-, P-, and R-striations in noble gas discharges can be explained. Due to energy losses in elastic collisions, initial electron energy distribution functions converge to the resonance trajectories (the so-called “bunch effect”). The findings of the discrete model agree with results of kinetic theory and experiment. The new approach avoids difficulties of the kinetic theory in the case of exceptionally large relaxation lengths which can even exceed the positive column length.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Niobium boride layers deposition on the surface AISI D2 steel by a duplex treatment

In this paper, we investigated the possibility of deposition of niobium boride layers on the surface of AISI D2 steel by a duplex treatment. At the first step of duplex treatment, boronizing was performed on AISI D2 steel samples at 1000{sup o}C for 2h and then pre-boronized samples niobized at 850°C, 900°C and 950°C using thermo-reactive deposition method for 1–4 h. The presence of the niobium boride layers such as NbB, NbB{sub 2} and Nb{sub 3}B{sub 4} and also iron boride phases such as FeB, Fe{sub 2}B were examined by X-ray diffraction analysis. Scanning electron microscope (SEM) and micro-hardness measurements were realized. Experimental studies showed that the depth of the coating layers increased with increasing temperature and times and also ranged from 0.42 µm to 2.43 µm, depending on treatment time and temperature. The hardness of the niobium boride layer was 2620±180 HV{sub 0.005}.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Interpreting plasmonic response of epitaxial Ag/Si(100) island ensembles

Associating features in the experimentally measured optical response of epitaxial Ag islands grown on Si(100) with the localized surface plasmon resonances (LSPRs) hosted by the Ag islands is challenging due to the variation of the Si dielectric function over the energy range under consideration. However, it is possible to conclusively identify features in the experimental spectra with LSPR modes oscillating both parallel and perpendicular to the epitaxial interface by simulating the optical response. The Abeles matrix method is used to describe the composite layered system and the Ag islands are modeled using the thin island film model developed by Bedeaux and Vlieger. By incorporating island morphology parameters determined by quantitative analysis of electron micrographs, the simulation faithfully reproduces the main features of the experimental spectra. Individually zeroing the dipoles associated with the LSPR modes enables conclusive identification of their contribution to the optical response of the composite system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Microwave assisted synthesis, spectral, magnetic and bioevolution of few Mn (II)-amide complexes

The importance and versatility of amide group containing ligands have promoted the selection of this class of ligands and their complexes for the study. The present work describes the synthesis, spectral and biological investigations on the complexes of amides derived from heterocyclic amines with Mn (II) ions. Four ligands derived 2-aminopyridine and their complexes with Mn (II) have been synthesized. A method for the synthesis of complexes has been developed by the use of microwave irradiation which is in agreement to Green chemistry approach. The complexes have been characterized on the basis of elemental analysis, infrared, electronic, ESR spectra and magnetic susceptibility studies. The diffuse reflectance spectrum of the complexes show bands in the region 20,000 cm{sup −1} to 26,000 cm{sup −1} assignable to {sup 6}A{sub 1g} → {sup 4}T{sub 2g} and {sup 6}A{sub 1g} → {sup 4}E{sub 1g} transitions. These are also typical of tetrahedral environment around the manganese. The magnetic moment (5.80 BM) of the complex indicates high spin tetrahedral environment. The microwave method of synthesis of complexes have been found easier, convenient and ecofriendly. Antimicrobial activities of compounds were also carried out against bacteria and fungi. Further minimal inhibitory concentration (MIC) was also determined for each compound.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Structural transition in sputter-deposited amorphous germanium films by aging at ambient temperature

The structure of amorphous Ge (a-Ge) films prepared by sputter-deposition and the effects of aging at ambient temperature and pressure were studied by pair-distribution-function (PDF) analysis from electron scattering and molecular dynamics simulations. The PDFs of the as-deposited and aged samples for 3–13 months showed that the major peaks for Ge-Ge bonds decrease in intensity and broaden with aging for up to 7 months. In the PDFs of a-Ge of molecular dynamics simulation obtained by quenching liquid at different rates, the major peak intensities of a slowly cooled model are higher than those of a rapidly cooled model. Analyses on short- and medium-range configurations show that the slowly cooled model includes a certain amount of medium-range ordered (MRO) clusters, while the rapidly cooled model includes liquid-like configurations rather than MRO clusters. The similarity between experimental and computational PDFs implies that as-deposited films are similar in structure to the slowly cooled model, whereas the fully aged films are similar to the rapidly cooled model. It is assumed that as they undergo room-temperature aging, the MRO clusters disintegrate and transform into liquid-like regions in the same matrix. This transition in local configurations is discussed in terms of instability and the non-equilibrium of nanoclusters produced by a vapor-deposition process.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

A density functional theory study of the adsorption behaviour of CO{sub 2} on Cu{sub 2}O surfaces

Copper has many applications, particularly in electro-catalysis, where the oxidation state of the copper electrode plays a significant role in the selectivity towards products. Although copper-based materials have clear potential as catalysts in the reduction of CO{sub 2} and conversion to products, fundamental understanding of CO{sub 2} adsorption and activation on different copper oxide surfaces is still limited. We have used DFT+U methodology to study the surface reconstruction of the three most exposed (111), (110), and (001) surfaces of Cu{sub 2}O with different possible terminations. Considering several adsorbate geometries, we have investigated CO{sub 2} adsorption on five different possible terminations and proposed eight different configurations in which CO{sub 2} binds with the surface. Similar to earlier findings, CO{sub 2} binds weakly with the most stable Cu{sub 2}O(111):O surface showing no molecular activation, whereas a number of other surfaces, which can appear in the Cu{sub 2}O particles morphology, show stronger binding as well as activation of the CO{sub 2} molecule. Different CO{sub 2} coverages were studied and a detailed structural and electronic charge analysis is presented. The activation of the CO{sub 2} molecule is characterized by structural transformations and charge transfer between the surface and the CO{sub 2} molecule, which is further confirmed by considerable red shifts in the vibrational frequencies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Layer transfer of bulk gallium nitride by controlled spalling

Successful wafer-scale layer transfer from high-quality 2-in. diameter bulk gallium nitride substrates was demonstrated using the Controlled Spalling technique. The crystal quality of both the as-fractured bulk substrate and the spalled GaN film was assessed using transmission electron microscopy analysis, and the defect density was below the detection limit (mid 107 cm−2) for both samples. By using the experimentally determined critical conditions for tensile stress and thickness of the Ni stressor layer, an effective fracture toughness KIC of 1.7 MPa m could be calculated for [0001] fracture using the Suo and Hutchinson mechanical model. The resulting in-plane contraction of the GaN film after spalling permitted a novel method for measuring film strain without knowledge of the elastic properties of the material. This was used to measure the Raman E2(high) peak shift coefficient of Δω(cm−1) = 1411ε which, when converted to a stress coefficient (2.95 cm−1/GPa), was in agreement with only one other literature value.

Bedell, S. W.↗

Alloying effects on superionic conductivity in lithium indium halides for all-solid-state batteries

Alloying of anions is a promising engineering strategy for tuning ionic conductivity in halide-based inorganic solid electrolytes. We explain the alloying effects in Li 3 InBr 6-x Cl x , in terms of strain, chemistry, and microstructure, using first-principles molecular dynamics simulations and novel electronic structure analysis. We find that strain and bond chemistry can be tuned through alloying and affect the activation energy and maximum diffusivity coefficient. The similar conductivities of the x=3 and x=6 compositions can be understood by assuming the alloy separates into Brrich and Cl-rich regions. Phase-separation increases diffusivity at the interface and in the expanded Cl-region, suggesting microstructure effects are critical.

25 ENERGY STORAGE↗

Molecular model of J-aggregated pseudoisocyanine fibers

Aggregated cyanines form ordered supramolecular structures with the potential to transport energy efficiently over long distances, a hallmark of photosynthetic light-harvesting complexes. In concentrated aqueous solution, pseudoisocyanine (PIC) spontaneously forms fibers with a chiral J-band red-shifted 1600 cm -1 from the monomeric 0–0 transition. A cryogenic transmission electron microscopy analysis of these fibers show an average fiber width of 2.89 nm, although the molecular-level structure of the aggregate is currently unknown. To determine a molecular model for these PIC fibers, the calculated spectra and dynamics using a Frenkel exciton model are compared to experiment. A chiral aggregate model in which the PIC monomers are neither parallel nor orthogonal to the long axis of the fiber is shown to replicate the experimental spectra most closely. This model can be physically realized by the sequential binding of PIC dimers and monomers to the ends of the fiber. Furthermore, these insights into the molecular aggregation model for aqueous PIC can also be applied to other similar cyanine-based supramolecular complexes with the potential for long-range energy transport, a key building block for the rational design of novel excitonic systems

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Analytical modeling of the evolution of the nonlinearity parameter of sensitized stainless steel

Austenitic stainless steels are subject to the precipitation of chromium carbides (M 23 C 6 ) during exposure to high temperatures, causing these alloys to be susceptible to intergranular corrosion due to chromium depletion along grain boundaries. The acoustic nonlinearity parameter, β, shows sensitivity to the formation of carbides in these alloys. The Thermo-Calc TC-PRISMA module was used to model the nucleation and growth of grain boundary M 23 C 6 carbides. The model was verified with scanning transmission electron microscopy analysis that allowed measurements of the grain boundary precipitates. The paper introduces a reduced-order model of the acoustic nonlinearity based on the formation of misfit dislocations at the interface of the grain boundary precipitate and matrix to explain the change in β during isothermal aging. Furthermore, a direct relationship between the radius of the M 23 C 6 grain boundary carbides and β was observed and verified with nonlinear ultrasound measurements on 304L and 316L stainless steels.

36 MATERIALS SCIENCE↗

Demagnetization analysis of an 18 GHz electron cyclotron resonance ion source permanent magnet hexapole

An upgrade of ECR2 at the Argonne Tandem Linac Accelerator System is under way, focusing on increasing the intensity capabilities of the facility. ECR2 is a room temperature electron cyclotron resonance ion source, and the upgrade has strict requirements to retain radial access to the plasma chamber and keep the ion source operating without the use of superconducting magnets. The upgrade design with respect to the magnet arrangement and magnetization vectors has recently been presented [R. C. Vondrasek, J. McLain, and R. H. Scott, J. Phys.: Conf. Ser. 2743 , 012044 (2024)] using the same magnetic material as the current ECR2 hexapole. A thorough exploration of the demagnetization potential of this hexapole was carried out, and the risk of demagnetization was deemed too high, despite the magnetic performance meeting the requirements for the upgrade. Additional permanent magnet materials are considered with their respective performance evaluated. Magnet strength and demagnetization resistance are investigated and optimized with the final room temperature design demonstrating a high temperature transient demagnetization resistance and a radial magnetic field of 1.18 T at the plasma chamber wall. Finally, the simulations of this hexapole suggest that it will be sufficient to optimize intensity with a 14.5 GHz driving frequency and will allow 18 GHz operation, while keeping a high safety margin for maintaining magnet performance.

Argonne Tandem Linac Accelerator System↗

Evaluating silicene as a potential cathode host to immobilize polysulfides in lithium–sulfur batteries

The internal shuttle effect caused by polysulfides dissolution and migration negatively impacts lithium–sulfur battery performance. In this paper, a mesoscale simulation strategy, which involves atomistic calculation and coarse-grained molecular modeling, is employed to evaluate silicene as a potential cathode host material to immobilize polysulfides. Adsorption energies of insoluble polysulfides (Li 2 S x with x =1, 2) and soluble polysulfide Li 2 S 4 on pristine and doped silicene sheets are calculated. Results show that the adsorption is thermodynamically favorable and N-doped silicene is helpful in trapping intermediate discharge products, Li 2 S 2 and Li 2 S 4 . The dissociation and reduction of long-chain polysulfides to short-chain polysulfides are observed. Electronic structure analysis shows that Li 2 S x molecules interact with silicene via strong chemical bonds. The atomistic structure evolution of Li 2 S layer formation on silicene is also investigated in this study. It is found that Li 2 S (110) layer forms first, and then, it is converted to Li 2 S (111) layer by introducing more Li 2 S molecules to the substrate. Li 2 S (111)/silicene interfacial structure is thermodynamically stable, and the interaction is dominated by Li–Si bonds. A coarse-grained model is developed to study and compare the growth of Li 2 S on silicene and graphene. Lastly, Li 2 S-induced surface coverage is faster on silicene than on graphene, which indicates that a silicene-based cathode host will experience more acute surface passivation, which will adversely affect cathode performance.

25 ENERGY STORAGE↗

Fluorescent Functionalized Mesoporous Silica for Radioactive Material Extraction

Mesoporous silica with covalently bound salicylic acid molecules incorporated in the structure was synthesized with a one-pot, co-condensation reaction at room temperature. The as-synthesized material has a large surface area, uniform particle size, and an ordered pore structure as determined by characterization with transmission electron microscopy, thermal gravimetric analysis, and infrared spectra, etc. Using the strong fluorescence and metal coordination capability of salicylic acid, functionalized mesoporous silica (FMS) was developed to track and extract radionuclide contaminants, such as uranyl [U(VI)] ions encountered in subsurface environments. Adsorption measurements showed a strong affinity of the FMS toward U(VI) with a Kd value of 105 mL/g, which is four orders of magnitude higher than the adsorption of U(VI) onto most of the sediments in natural environments. The new materials have a potential for synergistic environmental monitoring and remediation of the radionuclide U(VI) from contaminated subsurface environments.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

Supersonic Gas Injector for Plasma Fueling in the National Spherical Torus Experiment

A supersonic gas injector (SGI) has been developed for fueling and diagnostic applications on the National Spherical Torus Experiment (NSTX). It is comprised of a graphite converging-diverging Laval nozzle and a commercial piezoelectric gas valve mounted on a movable probe at a low-field-side midplane port location. Also mounted on the probe is a diagnostic package: a Langmuir probe, two thermocouples, and five pick-up coils for measuring toroidal, radial, vertical magnetic field components and magnetic fluctuations at the location of the SGI tip. The SGI flow rate is up to 33.25 Pa m 3 / (1.75 × 10 22 euterium particles/s), comparable to conventional NSTX gas injectors. The nozzle operates in a pulsed regime at room temperature and a reservoir gas pressure up to 665 kPa (5000 Torr). The deuterium jet Mach number of about 4 and the divergence half-angle of 5 to 25 deg have been measured in laboratory experiments simulating the NSTX environment. Reliable operation of the SGI and all mounted diagnostics at distances 0.01 to 0.20 m from the plasma separatrix has been demonstrated in NSTX experiments. The SGI has been used for fueling of ohmic and 2- to 4-MW neutral beam injection–heated L- and H-mode plasmas. Fueling efficiency in the range 0.1 to 0.3 has been obtained from the plasma electron inventory analysis. In conclusion, the SGI-fueling–based plasma discharge scenarios enabling better density control have been developed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Thermal Stability Testing of LANA.75

Savannah River Site has used the metal hydride LaNi 4.25 Al 0.75 (LANA.75) in the Tritium Facilities for over two decades. LANA.75 beds store significant quantities of tritium but have a limited service life due to the radiolytic decay of tritium to 3He within the metal matrix. It has been shown that the isotherm performance of a tritium-aged LANA.75 sample can be restored by heating under vacuum. Additional investigation is needed to ensure there are no unexpected changes to the hydride before this technique is employed in full-scale beds in the Tritium Facilities. In addition, it is necessary to verify the regenerable behavior and thermal stability of LANA.75 on a small scale prior to it being implemented on a large scale. In this work, a non-tritiated bench-scale LANA.75 sample was held at 750°C under vacuum for 200 h to simulate exposure to multiple restoration evolutions. Hydride isotherm performance, chemical composition, crystallinity, and morphology are compared between the pre-restorative and post-restorative testing samples. No significant changes were observed in composition or crystallinity. Comparison of pre-anneal and post-anneal isotherms showed that performance improved rather than deteriorated during the evolution. Scanning electron microscopy analysis showed small growths on the particle surface after exposure to regeneration conditions. Additional testing will be required to determine the cause of these growths.

08 HYDROGEN↗