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At least 433 records · Page 24

Novel 1D coordination polymer {l_brace}Tm(Piv){sub 3{r_brace}n}: Synthesis, structure, magnetic properties and thermal behavior

The new 1D coordination polymer {l_brace}Tm(Piv){sub 3{r_brace}n} (1), where Piv=OOCBu{sup t-}, was synthesized in high yield (>95%) by the reaction of thulium acetate with pivalic acid in air at 100 Degree-Sign S. According to the X-ray diffraction data, the metal atoms in compound 1 are in an octahedral ligand environment unusual for lanthanides. The magnetic and luminescence properties of polymer 1, it's the solid-phase thermal decomposition in air and under argon, and the thermal behavior in the temperature range of -50 Horizontal-Ellipsis +50 Degree-Sign S were investigated. The vaporization process of complex 1 was studied by the Knudsen effusion method combined with mass-spectrometric analysis of the gas-phase composition in the temperature range of 570-680 K. - Graphical Abstract: Novel 1D coordination polymer {l_brace}Tm(Piv){sub 3{r_brace}n} was synthesized and studied by X-ray diffraction. The magnetic, luminescence properties, the thermal behavior and the volatility for the compound {l_brace}Tm(Piv){sub 3{r_brace}n} were investigated. Black-Small-Square Highlights: Black-Right-Pointing-Pointer We synthesized the coordination polymer {l_brace}Tm(Piv){sub 3{r_brace}n}. Black-Right-Pointing-Pointer Tm atoms in polymer have the coordination number 6. Black-Right-Pointing-Pointer Polymer exhibits blue-color emission at room temperature. Black-Right-Pointing-Pointer Polymer shows high thermal stability and volatility. Black-Right-Pointing-Pointer Polymer has no phase transitions in the range of -50 Horizontal-Ellipsis +50 Degree-Sign S.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Formation of Cadmium-Sulfide Nanowhiskers via Vacuum Evaporation and Condensation in a Quasi-Closed Volume

Structural and technological studies of processes in which cadmium-sulfide nanowhiskers are synthesized in a quasi-closed volume by the method of vacuum evaporation and condensation are reported. It is demonstrated that the processes are in agreement with the classical vapor–liquid–crystal model. Micrographs of the objects in different formation stages are presented.

36 MATERIALS SCIENCE↗

Improving Land-Surface Modeling of Evapotranspiration Processes in Tropical Forests (Final Report)

Land surface models are used to represent terrestrial processes that shape global climate; examples of these processes include evaporation, plant water use, and photosynthesis. While much progress has been made to improve and refine these models, some hydrological processes are not well captured, which hinders our ability to understand land-atmosphere interactions and ultimately to predict impacts of climate change on water resources. The inadequate representation of evapotranspiration may partly explain why global climate models do not match observed precipitation patterns. Multiple factors contribute to this problem. In moist tropical regions, high humidity, leaf wetness, and cloud cover combine to suppress forest water use and possibly reduce forest growth in ways that are poorly understood. Mountainous areas pose additional difficulties, as standard modeling and measurement techniques are not readily applied in rough terrain. In this project, we aimed to improve our understanding and modeling of fluxes of water vapor and carbon dioxide to and from tropical forests. To do this, we collected a suite of data from the mountainous rainforest surrounding the Texas A&M Soltis Center in San Ramon, Costa Rica. From 2014 to 2018, a suite of variables were measured, including: in-canopy profiles of water vapor, carbon dioxide, temperature, light, and leaf wetness; transpiration, evapotranspiration, carbon flux, and soil respiration; and local weather conditions. Leaf-scale measurements were used to find photosynthesis rates and derive their parameters. Using this data set, we were able to better quantify the relationships between assimilation and transpiration and their main drivers in tropical forests. These variables were namely available light, vapor pressure deficit, and leaf wetness, but not soil moisture, which exerted no detectable control. We also showed the vertical variability in canopy microclimates and how neglecting forest layers in models may misrepresent overall fluxes. The data were then used to test and refine evapotranspiration and energy budget formulations in the Community Land Model. Fluxes and energy budget components were compared to simulated values from CLM4.5 and CLM.5. The biggest discrepancies arose from hillslope shading effects, particularly mismatches in afternoon carbon fluxes, with notable differences in transpiration rates and sap flux due to capacitance in large trees. Secondary, but still significant issues included unrealistic leaf wetness and leaf drying rates, as well as air and vegetation temperatures, both of which were likely linked to CLM’s formulations controlling wet leaf and sunlit/shaded leaf fractions. Modeling multiple layers in the canopy via the newly released CLM-ml and making adjustments to existing parameters both show promise in resolving these issues. In total, the project has produced 5 peer-reviewed articles, 24 presentations, 2 theses, 4 public outreach items, and 4 publically available datasets, to date. Additional products are expected pending the completion of an additional thesis. Data has also been shared with several collaborative networks, including PHENOCAM and SAPFLUXNET.

54 ENVIRONMENTAL SCIENCES↗

Distinct responses of Asian summer monsoon to black carbon aerosols and greenhouse gases

Black carbon (BC) aerosols emitted from natural and anthropogenic sources induce positive radiative forcing and global warming, which in turn significantly affect the Asian summer monsoon (ASM). However, many aspects of the BC effect on the ASM remain elusive and largely inconsistent among previous studies, which is strongly dependent on different low-level thermal feedbacks over the Asian continent and the surrounding ocean. This study examines the response of the ASM to BC forcing in comparison with the effect of doubled greenhouse gases (GHGs) by analyzing the Precipitation Driver Response Model Intercomparison Project (PDRMIP) simulations under an extremely high BC level (10 times modern global BC emissions or concentrations, labeled BC×10) from nine global climate models (GCMs). The results show that although BC and GHGs both enhance the ASM precipitation minus evaporation (P–E; a 13.6 % increase for BC forcing and 12.1 % for GHGs from the nine-model ensemble, respectively), there exists a much larger uncertainty in changes in ASM P–E induced by BC than by GHGs. The summer P–E is increased by 7.7 % to 15.3 % due to these two forcings over three subregions, including East Asian, South Asian and western North Pacific monsoon regions. Further analysis of moisture budget reveals distinct mechanisms controlling the increases in ASM P–E induced by BC and GHGs. The change in ASM P–E by BC is dominated by the dynamic effect due to the enhanced large-scale monsoon circulation, whereas the GHG-induced change is dominated by the thermodynamic effect through increasing atmospheric water vapor. Radiative forcing of BC significantly increases the upper-level atmospheric temperature over the Asian region to enhance the upper-level meridional land–sea thermal gradient (MLOTG), resulting in a northward shift of the upper-level subtropical westerly jet and an enhancement of the low-level monsoon circulation, whereas radiative forcing of GHGs significantly increases the tropical upper-level temperature, which reduces the upper-level MLOTG and suppresses the low-level monsoonal circulation. Hence, our results indicate a different mechanism of BC climate effects under the extremely high BC level: that BC forcing significantly enhances the upper-level atmospheric temperature over the Asian region, determining ASM changes, instead of low-level thermal feedbacks as indicated by previous studies.

54 ENVIRONMENTAL SCIENCES↗

Distinct responses of Asian summer monsoon to black carbon aerosols and greenhouse gases

Black carbon (BC) aerosols emitted from natural and anthropogenic sources induce positive radiative forcing and global warming, which in turn significantly affect the Asian summer monsoon (ASM). However, many aspects of the BC effect on ASM remain elusive and largely inconsistent among previous studies, which is strongly dependent on different low-level thermal feedbacks over the Asian continent and the surrounding ocean. This study examines the response of ASM to BC forcing in comparison with the effect of doubled greenhouse gases (GHGs) by analyzing the Precipitation Driver Response Model Intercomparison Project (PDRMIP) simulations under an extreme high BC level (10 times modern global BC emissions or concentrations, labeled by BC $\times$ 10) from nine global climate models (GCMs). The results show that although BC and GHGs both enhance the ASM precipitation minus evaporation (P–E) (a 13.6 % increase for BC forcing and 12.1 % for GHGs from the nine-model ensemble, respectively), there exists a much larger uncertainty in changes in ASM P–E induced by BC than by GHGs. The summer P–E is increased by 7.7 % to 15.3 % due to these two forcings over three sub-regions including East Asian, South Asian, and western North Pacific monsoon regions. Further analysis of moisture budget reveals distinct mechanisms controlling the increases in ASM P–E induced by BC and GHGs. The change in ASM P–E by BC is dominated by the dynamic effect due to the enhanced large-scale monsoon circulation, whereas the GHG-induced change is dominated by the thermodynamic effect through increasing atmospheric water vapor. Radiative forcing of BC significantly increases the upper-level atmospheric temperature over the Asian region to enhance the upper-level meridional land-sea thermal gradient (MLOTG), resulting in a northward shift of the upper-level subtropical westerly jet and an enhancement of the low-level monsoon circulation; whereas radiative forcing of GHGs significantly increases the tropical upper-level temperature, which reduces the upper-level MLOTG and suppresses the low-level monsoonal circulation. Hence, our results indicate a different mechanism of BC climate effects under the extreme high BC level, that BC forcing significantly enhances the upper-level atmospheric temperature over the Asian region, determining ASM changes, instead of low-level thermal feedbacks as indicated by previous studies.

54 ENVIRONMENTAL SCIENCES↗

Modeling of Aircraft Measurements of Ice Crystal Concentration in the Arctic and a Parameterization for Mixed-Phase Cloud

Abstract In this study, two parameterizations of ice nucleation rate on dust particles are used in a parcel model to simulate aircraft measurements of ice crystal number concentration Ni in the Arctic. The parcel model has detailed microphysics for droplet and ice nucleation, growth, and evaporation with prescribed vertical air velocities. Three dynamic regimes are considered, including large-scale ascent, cloud-top generating cells, and their combination. With observed meteorological conditions and aerosol concentrations, the parcel model predicts the number concentrations of size-resolved ice crystals, which may be compared to aircraft measurements. Model results show rapid changes with height/time in relative humidity, Ni, and thermodynamic phase partitioning, which is not resolved in current climate and weather forecasting models. Parameterizations for ice number and nucleation rate in mixed-phase stratus clouds are thus developed based on the parcel model results to represent the time-integrated effect of some microphysical processes in large-scale models.

54 ENVIRONMENTAL SCIENCES↗

Influence of nonstatistical properties in nuclear structure on emission of prompt fission neutrons

We report the Hauser-Feshbach fission-fragment decay (HF 3 D) model is extended to calculate the prompt fission neutron spectrum (PFNS) for the thermal-neutron-induced fission on 235 U, where the evaporated neutrons from all possible fission-fragment pairs are aggregated. By studying model parameter sensitivities on the calculated PFNS as well as nonstatistical behavior of low-lying discrete level spin distribution, we conclude that discrepancies between the aggregation calculation and the experimental PFNS seen at higher neutron emission energies can be attributed to both the primary fission-fragment yield distribution and the possible high spin states that are not predicted by the statistical theory of nuclear structure.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Technical Performance and Economic Evaluation of Evaporative and Membrane-Based Concentration for Biomass-Derived Sugars

Several conversion pathways of lignocellulosic biomass to advanced biofuels require or benefit from using concentrated sugar syrups of 600 g/L or greater. And while concentration may seem straightforward, thermal sugar degradation and energy efficiency remain major concerns. This study evaluated the trade-offs in product recovery, energy consumption, and economics between evaporative and membrane-based concentration methods. The degradation kinetics of xylose and glucose were characterized and applied to an evaporator process simulation. Though significant sugar loss was predicted for certain scenarios due to the Maillard reaction, industrially common falling-film plate evaporators offer short residence times (<5 min) and are expected to limit sugar losses. Membrane concentration experiments characterized flux and sugar rejection, but diminished flux occurred at >100 g/L. A second step using evaporation is necessary to achieve target concentrations. Techno-economic process model simulations evaluated the overall economics of concentrating a 35 g/L sugar stream to 600 g/L in a full-scale biorefinery. A two-step approach of preconcentrating using membranes and finishing with an evaporator consumed less energy than evaporation alone but was more expensive because of high capital expenses of the membrane units.

09 BIOMASS FUELS↗

Effect of solid-state characteristics on the critical parameters of the vapor–liquid phase transition

Database for the critical point parameters of almost all metals (including transition metals) and semiconductors is used to derive a number of empirical expressions to relate these parameters to the heat of evaporation, the normal density, and the isothermal bulk modulus of these substances in a solid state under normal conditions. The database is obtained using the thermodynamic model proposed earlier.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Experiments on the synthesis of superheavy nuclei Fl 284 and Fl 285 in the Pu 239 , 240 + Ca 48 reactions

Irradiations of 239 Pu and 240 Pu targets with 48Ca beams aimed at the synthesis of Z=114 flerovium isotopes were performed at the Dubna Gas Filled Recoil Separator. A new spontaneously fissioning (SF) isotope 284 Fl was produced for the first time in the 240 Pu+ 48 Ca (250 MeV) and 239 Pu+ 48 Ca (245 MeV) reactions. The cross section of the 239 Pu( 48 Ca,3n) 284 Fl reaction channel was about 20 times lower than predicted by theoretical models and about 50 times lower than the maximum fusion-evaporation cross section for the 3n and 4n channels measured in the 244 Pu+ 48 Ca reaction. In the 240 Pu+ 48 Ca experiment, performed at 245 MeV in order to maximize the 3n-evaporation channel, three decay chains of 285 Fl were detected. The α-decay energy of 285 Fl was measured for the first time and decay properties of its descendants 281 Cn, 277 Ds, 273 Hs, 269 Sg, and 265 Rf were determined with higher accuracy. The assignment of SF events observed during the irradiation of the 240 Pu target with a 250 MeV 48 Ca beam to 284 Fl decay is presented and discussed. The cross sections at both 48 Ca energies are similar and exceed that observed in the reaction with the lighter isotope 239 Pu by a factor of 10. In conclusion, the decay properties of the synthesized nuclei and their production cross sections indicate a rapid decrease of stability of superheavy nuclei as the neutron number decreases from the predicted magic neutron number N = 184.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Tuning Superhydrophilic Nanostructured Surfaces to Maximize Water Droplet Evaporation Heat Transfer Performance

Spraying water droplets on air fin surfaces is often used to augment the performance of air-cooled Rankine power plant condensers and wet cooling tower heat exchangers for building air-conditioning systems. To get the best performance in such processes, the water droplets delivered to the surface should spread rapidly into an extensive, thin film and evaporate with no liquid leaving the surface due to recoil or splashing. This paper presents predictions of theoretical/computational modeling and results of experimental studies of droplet spreading on thin-layer, nanostructured, superhydrophilic surfaces that exhibit very high wicking rates (wickability) in the porous layer. Analysis of the experimental data in the model framework illuminates the key aspects of the physics of the droplet-spreading process and evaporation heat transfer. This analysis also predicts the dependence of droplet-spreading characteristics on the nanoporous surface morphology and other system parameters. The combined results of this investigation indicate specific key strategies for design and fabrication of surface coatings that will maximize the heat transfer performance for droplet evaporation on heat exchanger surfaces. The implications regarding wickability effects on pool boiling processes are also discussed.

Engineering↗

Model-based data center cooling controls comparative co-design

This article presents a comparative simulation-based control logic design process. It uses the Control Description Language (CDL) and the ASHRAE Guideline 36 high-performing building control sequences with the Modelica Buildings Library (MBL) to demonstrate a comparative analysis of two control designs for a data center chilled water plant. Details include a description of the closed-loop plant and control design methodology, including sizing and parameterization, base and alternative (Guideline 36) control logic with software implementation structure, and outline of the simulation experimentation process. The selected control designs are paired with comparable chilled water plant configurations. The models include a chiller, a water-side economizer, and an evaporative cooling tower. The plant provides cooling at 27ºC zone supply air temperature to a data center in Sacramento, CA. The comparative simulation results examined the impacts of a selected control logic detail, and present an example model-based design application. Overall, the simulation results showed a 25% annual and a 18% summer energy use reduction for alternative controls. This shows that simulation-based control logic design performance evaluation can improve energy efficiency and resilience aspects of system controls at large.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Hot filament performance in a Freeman ion source

Here, we report on the simulation results of the hot tungsten filament behavior in a Freeman ions source installed in the LANL electro-magnetic isotope separator (EMIS). The Freeman source enables us to ionize and extract high intensity single-charge ion beams from different gases as well as from various solid materials in order to purify the content of a selected isotope. We have modified our LANSCE H– Ion Source Filament Model to calculate the ion source working parameters during a beam production cycle and estimate the ion source filament lifetime. Two main mass erosion processes of the hot cathode in a Freeman ion source are included: thermal evaporation and plasma sputtering. The initial working temperature of the ion source filament was estimated to be in range of 2400 to 2500 K. The filament model shows that the plasma sputtering rate is several magnitude of order higher than the thermal evaporation rate. The results of ion source modeling were compared with recorded data during the EMIS beam production runs using krypton noble gas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Correlated Production and Analog Transport of Fission Neutrons and Photons Using Fission Models FREYA, FIFRELIN, and the Monte Carlo Code TRIPOLI-4

Fission modeling in general-purpose Monte Carlo transport codes often relies on average nuclear data provided by the international evaluation libraries. As such, only average fission multiplicities are available and correlations between fission neutrons and photons are missing. Whereas uncorrelated fission physics is usually sufficient for standard reactor core and radiation shielding calculations, correlated fission secondaries are required for specialized nuclear instrumentation and detector modeling. For coincidence counting detector optimization for instance, the precise simulation of fission neutrons and photons that remain correlated in time from birth to detection is essential. New developments were recently integrated into the Monte Carlo transport code TRIPOLI-4 to model fission physics more precisely, the purpose being to access event-by-event fission events from two different fission models: Fission Reaction Event Yield Algorithm (FREYA) and Fission Fragment Evaporation Leading to an Investigation of Nuclear Data (FIFRELIN). TRIPOLI-4 simulations can now be performed, either by connecting via an application programming interface to the Lawrence Livermore National Laboratory fission library including FREYA, or by reading the external fission event data files produced by FIFRELIN beforehand. These new capabilities enable us to easily compare results from the Monte Carlo transport calculations using the two fission models in a nuclear instrumentation application. In the first part of this paper, the broad underlying principles of the two fission models are recalled. We then present the experimental measurements of neutron angular correlations for 252 Cf(sf) and 240 Pu(sf). The correlations were measured for several neutron kinetic energy thresholds. In the latter part of this paper, simulation results are compared with the experimental data. Spontaneous fissions in 252 Cf and 240 Pu are modeled by FREYA or FIFRELIN. Emitted neutrons and photons are subsequently transported to an array of scintillators by TRIPOLI-4 in the analog mode to preserve their correlations. Angular correlations between fission neutrons obtained independently from these TRIPOLI-4 simulations, using either FREYA or FIFRELIN, are compared with the experimental results. In conclusion, for 240 Pu(sf), the measured correlations were used to tune one of the FREYA model parameters. Similarly, different sets of parameters have been tested in FIFRELIN to try to improve the agreement with the experimental data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Combined modeling of acceleration, transport, and hydrodynamic response in solar flares. II. Inclusion of radiative transfer with RADYN

Solar flares involve complex processes that are coupled and span a wide range of temporal, spatial, and energy scales. Modeling such processes self-consistently has been a challenge in the past. Here we present results from simulations that couple particle kinetics with hydrodynamics (HD) of the atmospheric plasma. We combine the Stanford unified Fokker–Planck code that models particle acceleration and transport with the RADYN HD code that models the atmospheric response to collisional heating by accelerated electrons through detailed radiative transfer calculations. We perform simulations using two different electron spectra, one an ad hoc power law and the other predicted by the model of stochastic acceleration by turbulence or plasma waves. Surprisingly, the later model, even with energy flux ≪10{sup 10} erg s{sup −1} cm{sup −2}, can cause “explosive” chromospheric evaporation and drive stronger up- and downflows (and HD shocks). This is partly because our acceleration model, like many others, produces a spectrum consisting of a quasi-thermal component plus a power-law tail. We synthesize emission-line profiles covering different heights in the lower atmosphere, including Hα 6563 Å, He ii 304 Å, Ca ii K 3934 Å, and Si iv 1393 Å. One interesting result is the unusual high temperature (up to a few times 10{sup 5} K) of the formation site of He ii 304 Å, which is expected owing to photoionization-recombination under flare conditions, compared to those in the quiet Sun dominated by collisional excitation. When compared with observations, our results can constrain the properties of nonthermal electrons and thus the poorly understood particle acceleration mechanism.

79 ASTRONOMY AND ASTROPHYSICS↗

CFD unified approach under Eulerian–Lagrangian framework for methanol and gasoline direct injection sprays in evaporative and flash boiling conditions

Innovative synthetic fuels for advanced propulsion systems, such as methanol and ammonia, and synthetic blended fuels (E00, E10, and E30), known for their high volatility, are often injected directly into combustion chambers. It follows that Eulerian–Lagrangian spray models need to accurately capture the spray collapse as a consequence of flash boiling onset and be capable of proficiently handling the preferential evaporation of multi-component fuels in evaporative scenarios. So, we performed the assessment of an Eulerian–Lagrangian CFD code for simulating methanol and E00 gasoline blend sprays in both early and late injection conditions involving flash boiling conditions and preferential evaporation. The adoption of an effervescent breakup model and of a non-equilibrium phase transition model for the discrete phase allows the adoption of a setup that is almost completely free from specific constant tuning, especially for what concerns the breakup model. We validated the simulations using experimental PLV maps of methanol and E00 sprays issued from the ECN Spray M injector. The results highlight a significantly different morphology of the methanol spray compared to the E00 one under late injection conditions. Under stratified combustion, low-volatile fuels are likely to be ignited first, and the flame propagates toward the high-volatile fuels. In conclusion, the spray collapse was also correctly reproduced, inducing the presence of a low-pressure zone and modifying the spray morphology.

E00↗

Total reaction cross sections in CEM and MCNP6 at intermediate energies

Accurate total reaction cross section models are important to achieving reliable predictions from spallation and transport codes. The latest version of the Cascade Exciton Model (CEM) as incorporated in the code CEM03.03, and the Monte Carlo N-Particle transport code (MCNP6), both developed at Los Alamos National Laboratory (LANL), each use such cross sections. Having accurate total reaction cross section models in the intermediate energy region (50 MeV to 5 GeV) is very important for different applications, including analysis of space environments, use in medical physics, and accelerator design, to name just a few. The current inverse cross sections used in the preequilibrium and evaporation stages of CEM are based on the Dostrovsky et al. model, published in 1959. Better cross section models are now available. Implementing better cross section models in CEM and MCNP6 should yield improved predictions for particle spectra and total production cross sections, among other results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

MODELING OF REFLECTIVE PROPAGATING SLOW-MODE WAVE IN A FLARING LOOP

Quasi-periodic propagating intensity disturbances have been observed in large coronal loops in extreme ultraviolet images over a decade, and are widely accepted to be slow magnetosonic waves. However, spectroscopic observations from Hinode/EIS revealed their association with persistent coronal upflows, making this interpretation debatable. We perform a 2.5D magnetohydrodynamic simulation to imitate the chromospheric evaporation and the following reflected patterns in a flare loop. Our model encompasses the corona, transition region, and chromosphere. We demonstrate that the quasi periodic propagating intensity variations captured by the synthesized Solar Dynamics Observatory/Atmospheric Imaging Assembly 131, 94 Å emission images match the previous observations well. With particle tracers in the simulation, we confirm that these quasi periodic propagating intensity variations consist of reflected slow mode waves and mass flows with an average speed of 310 km s{sup −1} in an 80 Mm length loop with an average temperature of 9 MK. With the synthesized Doppler shift velocity and intensity maps of the Solar and Heliospheric Observatory/Solar Ultraviolet Measurement of Emitted Radiation Fe xix line emission, we confirm that these reflected slow mode waves are propagating waves.

79 ASTRONOMY AND ASTROPHYSICS↗