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At least 379 records · Page 21

Dynamics of polymer film formation during spin coating

Standard models explaining the spin coating of polymer solutions generally fail to describe the early stages of film formation, when hydrodynamic forces control the solution behavior. Using in situ light scattering alongside theoretical and semi-empirical models, it is shown that inertial forces (which initially cause a vertical gradient in the radial solvent velocity within the film) play a significant role in the rate of thinning of the solution. The development of thickness as a function of time of a solute-free liquid (toluene) and a blend of polystyrene and poly(methyl methacrylate) cast from toluene were fitted to different models as a function of toluene partial pressure. In the case of the formation of the polymer blend film, a concentration-dependent (Huggins) viscosity formula was used to account for changes in viscosity during spin coating. A semi-empirical model is introduced, which permits calculation of the solvent evaporation rate and the temporal evolution of the solute volume fraction and solution viscosity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Modified version of the combined model of photonucleon reactions

A refined version of the combined photonucleon-reaction model is described. This version makes it possible to take into account the effect of structural features of the doorway dipole state on photonucleon reactions in the energy range of E{sub γ} ≤ 30 MeV. In relation to the previous version of the model, the treatment of isospin effects at the preequilibrium and evaporation reaction stages is refined; in addition, the description of the semidirect effect caused by nucleon emission from the doorway dipole state is improved. The model in question is used to study photonucleon reactions on the isotopes {sup 35-56}Ca and {sup 102-134}Sn in the energy range indicated above.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Model Implementation of Boron Removal Using CaCl{sub 2}-CaO-SiO{sub 2} Slag System for Solar-Grade Silicon

A new CaCl{sub 2}-CaO-SiO{sub 2} slag system was recently proposed to remove boron from metallurgy-grade silicon by oxidized chlorination and evaporation. To further investigate the boron transformation process at a high temperature, a model implementation to present the transfer of boron from molten silicon to the gas phase via slag is introduced. Heat transfer, fluid flow, the chemical reactions at the interface and surface, the mass transfer and diffusion of boron in the molten silicon and slag, and the evaporation of BOCl and CaCl{sub 2} were coupled in this model. After the confirmation of the thermal field, other critical parameters, including the boron partition ratios (L{sub B}) for this slag from 1723 K to 1823 K (1450 °C to 1550 °C), the thicknesses of the velocity boundary layer at the surface and interface, the mass transfer coefficients of the boundary layer at the surface and interface, and partial pressure of BOCl in the gas phase were analyzed to determine the rate-limiting step. To verify this model implementation, boron removal experiments were carried out at various temperatures and with various initial mass ratios of slag to silicon (μ). The evaporation rate of CaCl{sub 2} was also measured by thermogravimetry analysis (TGA).

36 MATERIALS SCIENCE↗

OBSERVATIONS OF RECONNECTING FLARE LOOPS WITH THE ATMOSPHERIC IMAGING ASSEMBLY

Perhaps the most compelling evidence for the role of magnetic reconnection in solar flares comes from the supra-arcade downflows that have been observed above many post-flare loop arcades. These downflows are thought to be related to highly non-potential field lines that have reconnected and are propagating away from the current sheet. We present new observations of supra-arcade downflows taken with the Atmospheric Imaging Assembly (AIA) on the Solar Dynamics Observatory (SDO). The morphology and dynamics of the downflows observed with AIA provide new evidence for the role of magnetic reconnection in solar flares. With these new observations we are able to measure downflows originating at larger heights than in previous studies. We find, however, that the initial velocities measured here ({approx}144 km s{sup -1}) are well below the Alfven speed expected in the lower corona, and consistent with previous results. We also find no evidence that the downflows brighten with time, as would be expected from chromospheric evaporation. These observations suggest that simple two-dimensional models cannot explain the detailed observations of solar flares.

79 ASTRONOMY AND ASTROPHYSICS↗

Modelling the interlayer bond strength of 3D printed concrete with surface moisture

Highlights: • An analytical model for interlayer adhesion of 3DPC is proposed based on the amount of surface moisture on the interlayer. • For this mix, the model accurately (RMSE=2.5%) predicts the reduction in interlayer adhesion from 30% to 50%. • Internal curing with superabsorbent polymers increases the interlayer adhesion by 10% and flexural strength by 19%. • SAPs also improve the initial thixotropy by 49% and buildability by 25% compared to the reference. Providing additional water to the hydrating cementitious particles is essential to achieve the optimal mechanical performance of the low w/b concrete mixes preferred for 3D printing. This study incorporates superabsorbent polymers (SAP) and additional water in 3D printed concrete (3DPC) to promote the hydration process through delayed internal water release. The study shows that a retentive SAP modifies the rheological development by absorbing the pore fluid for a short period after printing. The absorption-induced stiffening increases the thixotropy and buildability by 49% and 25%, respectively. A retentive SAP increases the flexural strength and interlayer adhesion by 19% and 10%, respectively. This is due to the internal water release that promotes hydration. Evaporation of the interlayer moisture during the pass time has the opposite effect— evaporation reduces the interlayer adhesion. Based on this assumption, an analytical model is proposed. The model accounts for the pass time, bleeding, and the environmental evaporation rate to estimate the surface moisture and predict the lack of interlayer adhesion. In this study, the model accurately (RMSE = 2.5%) predicted an interlayer adhesion reduction from 30% to 50%. The interlayer adhesion results of other studies could also be predicted.

36 MATERIALS SCIENCE↗

Growth Kinetics and Size Distribution Dynamics of Viscous Secondary Organic Aerosol

Low bulk diffusivity inside viscous semisolid atmospheric secondary organic aerosol (SOA) can prolong equilibration time scale, but its broader impacts on aerosol growth and size distribution dynamics are poorly understood. In this article, we present quantitative insights into the effects of bulk diffusivity on the growth and evaporation kinetics of SOA formed under dry conditions from photooxidation of isoprene in the presence of a bimodal aerosol consisting of Aitken (ammonium sulfate) and accumulation (isoprene or α-pinene SOA) mode particles. Aerosol composition measurements and evaporation kinetics indicate that isoprene SOA is composed of several semivolatile organic compounds (SVOCs), with some reversibly reacting to form oligomers. Model analysis shows that liquid-like bulk diffusivities can be used to fit the observed evaporation kinetics of accumulation mode particles but fail to explain the growth kinetics of bimodal aerosol by significantly under-predicting the evolution of the Aitken mode. In contrast, the semisolid scenario successfully reproduces both evaporation and growth kinetics, with the interpretation that hindered partitioning of SVOCs into large viscous particles effectively promotes the growth of smaller particles that have shorter diffusion time scales. This effect has important implications for the growth of atmospheric ultrafine particles to climatically active sizes.

54 ENVIRONMENTAL SCIENCES↗

Laser induced plasma on copper target, a non-equilibrium model

The aim of this work is to present a comprehensive numerical model for the UV laser ablation of metal targets, it focuses mainly on the prediction of laser induced plasma thresholds, the effect of the laser-plasma interaction, and the importance of the electronic non-equilibrium in the laser induced plume and its expansion in the background gas. This paper describes a set of numerical models for laser-matter interaction between 193-248 and 355 nm lasers and a copper target. Along with the thermal effects inside the material resulting from the irradiation of the latter with the pulsed laser, the laser-evaporated matter interaction and the plasma formation are thoroughly modelled. In the laser induced plume, the electronic nonequilibrium and the laser beam absorption have been investigated. Our calculations of the plasmas ignition thresholds on copper targets have been validated and compared to experimental as well as theoretical results. Comparison with experiment data indicates that our results are in good agreement with those reported in the literature. Furthermore, the inclusion of electronic non-equilibrium in our work indicated that this important process must be included in models of laser ablation and plasma plume formation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

BENEFIT with Northeastern University: HVAC Hardware-in-the-Loop Experimental Testing of a Heat Pump and Air Conditioner

This dataset includes HVAC Hardware-in-the-Loop (HIL) experimental results for a single stage, SEER 16, HSPF 9.5, 3-ton single-speed air source heat pump with 15 kW of backup auxiliary heating tested in both cooling and heating mode, and a two stage, SEER 21, 2-ton central air conditioner tested in cooling mode for a set of outdoor temperatures and indoor setpoint temperatures. In addition to these tests, experimental tests focused on the operation of auxiliary heating for the heat pump for winter condition were also conducted. The laboratory experiments for transient testing of the heat pump and air conditioner were conducted using the two HIL systems in the Systems Performance Laboratory (SPL) at NREL’s Energy Systems Integration Facility (ESIF). Further information on laboratory design and capabilities of the SPL along with the architecture of HVAC HIL system can be found in: Sparn, B. F. 2018. Laboratory Resources and Techniques to Evaluate Smart Home Technology (No. NREL/CP-5500-71696). National Renewable Energy Laboratory (NREL), Golden, CO (United States). https://www.nrel.gov/docs/fy18osti/71696.pdf and the experimental setup and validation of HVAC HIL platform can be found in: Ramaraj, S. and Sparn, B. 2022. Validation of HVAC Hardware-In-the-Loop Simulation for Advanced Control Strategies in Smart Homes (No. NREL/CP-5500-82562). National Renewable Energy Lab (NREL), Golden, CO (United States). https://www.nrel.gov/docs/fy22osti/82562.pdf. These experimental results can be used to validate how we currently model the cycling behavior of heat pumps and air conditioners. Additionally, many demand response programs implement heat pump and air conditioner control by changing the thermostat set point – these data may also be used to verify our models for heat pump and air conditioner demand response control are implemented correctly. The Test_Matrix file describes all the indoor and outdoor test conditions for heat pump and air conditioner and the file names of data sets include information about the test conditions. A wide range of outdoor air temperatures were chosen to accommodate summer and winter conditions. In addition to operating the HVAC equipment with different outdoor temperatures, we also operate the system with different indoor temperature set points to represent different grid signals or different operating conditions. For cooling conditions, the baseline set point is 72°F. To represent Load Up signals, the setpoint is changed to 68°F. The Load Shed set point is 76°F. For heating conditions, the baseline set point was assumed to be 68°F. The Load add set point is 72°F and the Load shed set point is 64°F. The starting indoor temperature for cooling conditions was set ~2°F above the indoor setpoint temperature so that the equipment turned on quickly. Similarly, the initial indoor temperature was set ~2°F lower than setpoint for heating mode tests to ensure that heating began quickly. The return air temperature was assumed to be equal to the indoor setpoint temperature in all cases. The experimental data are sampled at 1-second intervals. The data from ecobee thermostat at 5-minute interval are resampled and added to the corresponding file. The content of each data set is as follows: • T_Return (C): Measured return air temperature [C] • T_Return_SP (C): Return air temperature setpoint from E+ model, sent to HIL [C] • T_Supply (C): Measured supply air temperature at evaporator outlet [C] • T_Outdoor (C): Measured outdoor air temperature [C] • T_Outdoor_SP (C): Outdoor air temperature setpoint from weather file, sent to HIL [C] • T_Indoor (C): Measured indoor air temperature [C] • T_Indoor_SP (C): Indoor air temperature setpoint from E+ model, sent to HIL [C] • Outdoor Unit Power (W): Measured power of the outdoor unit [W] • Indoor Unit Power (W): Measured power of the indoor unit [W] • Evaporator Airflow Rate (CFM): Measured evaporator or indoor unit airflow rate sent to E+ model [CFM] • Cooling/Heating Capacity (kW): Calculated cooling/heating capacity sent to E+ model [kW] • T_SP_Thermostat (C): Thermostat cooling/heating setpoint temperature [C] • T_Indoor_Thermostat (C): Thermostat indoor air temperature [C]

24 POWER TRANSMISSION AND DISTRIBUTION↗

A UNIFAC-Based Approach to Gasoline Droplet Evaporation and the Role of Oxygenates on PM Precursor Vaporization

In some studies, a relationship has been observed between increasing ethanol content in gasoline and increased particulate matter (PM) emissions from vehicles equipped with spark ignition engines. The fundamental cause of the PM increase seen for moderate ethanol concentrations is not well understood. As a result, existing PM indices such as PMI may not be indicative of measured PM emissions for oxygenated biofuel blends. Ethanol features a greater heat of vaporization (HOV) than gasoline and also influences vaporization by altering the liquid and vapor composition throughout the vaporization process. A droplet vaporization model was developed to explore ethanol's effect on the evaporation of aromatic compounds known to be PM precursors. The evolving droplet composition is modeled as a distillation process, with non-ideal interactions between oxygenates and hydrocarbons accounted for using UNIFAC group contribution theory. Detailed hydrocarbon analysis was applied to fuel samples, and used as input for the initial droplet composition. The droplet can be modeled in terms of energy transfer, which in turn provides the transient mass transfer, droplet temperature, and droplet diameter. Model predictions suggest that non-ideal vapor-liquid equilibrium along with an increase in HOV can alter the droplet composition evolution. Results predict that the presence of ethanol causes enrichment of the higher boiling fractions (T90+) in the aromatic components as well as lengthens the droplet lifetime. A simulation of the evaporation process in a transient environment as experienced within an engine cylinder predicts a decrease in mixing time of the heaviest fractions of the fuel prior to spark initiation, possibly explaining observations linking ethanol to PM. A correlation between liquid phase PM precursors and measured PM emissions is shown.

33 ADVANCED PROPULSION SYSTEMS↗

Theoretical study of evaporation cross sections in the synthesis of very neutron-deficient nuclei

The synthesis of rare-earth neutron-deficient nuclei with large Z/N ratio {approx_equal}0.88 is studied within the framework of the standard statistical model. The fusion cross sections are calculated on the basis of the nuclear reaction video model. The deexcitation process is calculated with the help of the statistical code alice. It is found that the excitation functions can be predicted using a few exited experimental data by carefully choosing the input parameters in the statistical model. The results obtained show that a satisfactory description of the experimental evaporation cross sections requires a great reduction in the theoretical fission barriers.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A missing layer in COVID-19 studies: Transmission of enveloped viruses in mucus-rich droplets

Here we evaluate the influence of mucus layers on the evaporation time and transport of enveloped viruses, including SARS-CoV-2. Enveloped viruses must remain moist to be fully infective. Yet, the Wells model based on water droplets divides respiratory droplets into either quickly evaporated aerosolized particles termed droplet nuclei (<10 s) or liquid droplets that fall to the nearest surface, leaving no physical mechanism for airborne transmission of fully infective enveloped viruses over large distances (greater than a few meters). Yet, the role of mucus layers on evaporation times has not been considered even though the formation of mucus shells around liquid cores of respiratory droplets has been shown experimentally. Here we show that mucus shells increase the drying time by orders of magnitude so that enveloped virions may remain well hydrated and, thus, fully infective at substantial distances. Further, this provides a mechanism by which infective enveloped virus particles can transmit as aerosols within buildings and between buildings over extended distances. This analysis is important because public health agencies typically follow the Wells model to establish health policies including social/physical distancing guidelines.

60 APPLIED LIFE SCIENCES↗

Intra-binary shock heating of black widow companions

The low-mass companions of evaporating binary pulsars (black widows and similar) are strongly heated on the side facing the pulsar. However, in high-quality photometric and spectroscopic data, the heating pattern does not match that expected for direct pulsar illumination. Here we explore a model where the pulsar power is intercepted by an intra-binary shock (IBS) before heating the low-mass companion. We develop a simple analytic model and implement it in the popular “ICARUS” light curve code. The model is parameterized by the wind momentum ratio β and the companion wind speed f{sub v}v{sub orb}, and assumes that the reprocessed pulsar wind emits prompt particles or radiation to heat the companion surface. We illustrate an interesting range of light curve asymmetries controlled by these parameters. The code also computes the IBS synchrotron emission pattern, and thus can model black widow X-ray light curves. As a test, we apply the results to the high-quality asymmetric optical light curves of PSR J2215+5135; the resulting fit gives a substantial improvement upon direct heating models and produces an X-ray light curve consistent with that seen. The IBS model parameters imply that at the present loss rate, the companion evaporation has a characteristic timescale of τ{sub evap}≈150 Myr. Still, the model is not fully satisfactory, indicating that there are additional unmodeled physical effects.

79 ASTRONOMY AND ASTROPHYSICS↗

Thermal Response of a Lithium Vapor Divertor to Cyclical Operation

The lithium vapor divertor concept is being developed as a method to achieve detached divertor conditions in a tokamak while minimizing impurity radiation losses from the core plasma. SOLPS-ITER modeling has previously been used to identify some of the geometric constraints and required lithium evaporation rate of a lithium vapor divertor in a medium-sized tokamak during steady-state operation. Here an updated conceptual design based on these operating requirements is introduced and the thermal response of the system is modeled during cyclical operation, consistent with operation in a short-pulse tokamak. Controllability of the temperature of the lithium capillary porous system (CPS) is achieved by adopting a design where there is no line-of-sight for radiation from the plasma to reach the heated CPS surface. Operational strategies to minimize the amount of lithium evaporated between plasma discharges while achieving steady evaporation rates during plasma discharges are discussed and modeled here. The optimal feedforward control strategy demonstrated in this work is to ramp up the temperature of the evaporator as quickly as possible immediately before a plasma discharge and then reduce the heating to match the desired steady-state net evaporation rate just before the plasma discharge begins, allowing the thermal inertia of the system to stabilize the evaporation rate during the first second of the plasma discharge.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Evaluation of satellite Leaf Area Index in California vineyards for improving water use estimation

Remote sensing estimation of evapotranspiration (ET) directly quantifies plant water consumption and provides essential information for irrigation scheduling, which is a pressing need for California vineyards as extreme droughts become more frequent. Many ET models take satellite-derived Leaf Area Index (LAI) as a major input, but how uncertainties of LAI estimations propagate to ET and the partitioning between evaporation and transpiration is poorly understood. Here we assessed six satellite-based LAI estimation approaches using Landsat and Sentinel-2 images against ground measurements from four vineyards in California and evaluated ET sensitivity to LAI in the thermal-based two-source energy balance (TSEB) model. We found that radiative transfer modeling-based approaches predicted low to medium LAI well, but they significantly underestimated high LAI in highly clumped vine canopies (RMSE ~ 0.97 to 1.27). Cubist regression models trained with ground LAI measurements from all vineyards achieved high accuracy (RMSE ~ 0.3 to 0.48), but these empirical models did not generalize well between sites. Red edge bands and the related vegetation index (VI) from the Sentinel-2 satellite contain complementary information of LAI to VIs based on near-infrared and red bands. TSEB ET was more sensitive to positive LAI biases than negative ones. Positive LAI errors of 50% resulted in up to 50% changes in ET, while negative biases of 50% in LAI caused less than 10% deviations in ET. However, even when ET changes were minimal, negative LAI errors of 50% led to up to a 40% reduction in modeled transpiration, as soil evaporation and plant transpiration responded to LAI change divergently. These findings call for careful consideration of satellite LAI uncertainties for ET modeling, especially for the partitioning of water loss between vine and soil or cover crop for effective vineyard irrigation management.

54 ENVIRONMENTAL SCIENCES↗

Hanford Supplemental Low Activity Waste Simulant Evaporation Testing for Removal of Organics

The Hanford site has approximately 56 million gallons of radioactive waste stored in 177 underground storage tanks. The Hanford Waste Treatment and Immobilization Plant (WTP) is being built to treat and immobilize the tank waste. The baseline method for immobilization of Low Activity Waste (LAW) is vitrification, but additional immobilization capacity is likely needed to supplement the initial melters. An alternative cementitious waste form is being investigated for that future supplemental immobilization method. However, one impediment to a cementitious waste form is the presence of Land Disposal Restricted (LDR) organic chemicals in tank waste. Developing a method to remove the organics would eliminate that impediment to permit possible use of a cementitious waste form. Savannah River National Laboratory (SRNL) performed testing to examine evaporation as a method to remove some prevalent organics from the Supplemental LAW (SLAW) stream. Samples of product streams from the evaporation were analyzed to determine partitioning of the organics. Modeling was also performed to determine if the experimental and modeling results matched. A description of the experimental details, equipment, and results of that testing are included in this report.The work is intended to inform future SLAW flowsheet development activities and gather useful data about the partitioning of constituents through a possible SLAW feed evaporator.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Evapotranspiration and water yield of a pine-broadleaf forest are not altered by long-term atmospheric [CO 2 ] enrichment under native or enhanced soil fertility

Changes in evapotranspiration ( ET ) from terrestrial ecosystems affect their water yield (WY), with considerable ecological and economic consequences. Increases in surface runoff observed over the past century have been attributed to increasing atmospheric CO 2 concentrations resulting in reduced ET by terrestrial ecosystems. Here, we evaluate the water balance of a Pinus taeda (L.) forest with a broadleaf component that was exposed to atmospheric [CO 2 ] enrichment (ECO 2 ; +200 ppm) for over 17 years and fertilization for 6 years, monitored with hundreds of environmental and sap flux sensors on a half-hourly basis. These measurements were synthesized using a one-dimensional Richard's equation model to evaluate treatment differences in transpiration ( T ), evaporation ( E ), ET , and WY . Here, we found that ECO 2 did not create significant differences in stand T, ET , or WY under either native or enhanced soil fertility, despite a 20% and 13% increase in leaf area index, respectively. While T, ET , and WY responded to fertilization, this response was weak (<3% of mean annual precipitation). Likewise, while E responded to ECO 2 in the first 7 years of the study, this effect was of negligible magnitude (<1% mean annual precipitation). Given the global range of conifers similar to P. taeda , our results imply that recent observations of increased global streamflow cannot be attributed to decreases in ET across all ecosystems, demonstrating a great need for model–data synthesis activities to incorporate our current understanding of terrestrial vegetation in global water cycle models.

59 BASIC BIOLOGICAL SCIENCES↗

Investigating the Diurnal Radiative, Turbulent, and Biophysical Processes in the Amazonian Canopy‐Atmosphere Interface by Combining LES Simulations and Observations

Abstract We investigate the atmospheric diurnal variability inside and above the Amazonian rainforest for a representative day during the dry season. To this end, we combine high‐resolution large‐eddy simulations that are constrained and evaluated against a comprehensive observation set, including CO 2 concentrations, gathered during GoAmazon2014/15. We design systematic numerical experiments to quantify whether a multilayer approach in solving the explicit canopy improves our canopy‐atmosphere representation. We particularly focus on the relationship between photosynthesis and plant transpiration, and their distribution at leaf and canopy scales. We found the variability of photosynthesis drivers like vapor pressure deficit and leaf temperature to be about 3 times larger for sunlit leaves compared to shaded leaves. This leads to a large spread on leaf stomatal conductance values with minimum and maximum values varying more than 100%. Regarding the turbulent structure, we find wind‐driven stripe‐like shapes at the canopy top and structures resembling convective cells at the canopy. Wind‐related variables provide the best spatiotemporal agreement between model and observations. The potential temperature and heat flux profiles agree with an observed decoupling near the canopy top interface, although with less variability and cold biases of up to 3 K. The increasing complexity on the biophysical processes leads to the largest disagreements for evaporation, CO 2 plant assimilation and soil efflux. The model is able to capture the correct dependences and trends with the magnitudes still differing. We finally discuss the need to revise leaf and soil models and to complete the observations at leaf and canopy levels.

54 ENVIRONMENTAL SCIENCES↗

Heat pump water heater enhanced with phase change materials thermal energy storage: Modeling study

A promising solution to improve the first hour rating (FHR) of a heat pump water heater (HPWH) involves employing a secondary tank which contains phase change material (PCM) capsules. To better understand the influence of PCM thermal storage on the HPWH operational performance, a dynamic model was developed to simulate and analyze the behavior of a newly developed HPWH technology that incorporates PCM storage into a standard HPWH to optimize key parameters such as the uniform energy factor and FHR. Mathematical models of several key components of the proposed HPWH-PCM integrated thermal energy storage (TES) system, e.g., water heater tank, PCM TES tank, evaporator, compressor, and expansion valve, have been elaborated. Also, a model-based control co-simulation platform was developed to integrate a embed PCM storage HPWH dynamic model with a control model for better supporting control design, analysis, verification, and validation. The model accuracy has been validated through comparing simulation results with lab test results, with a mean average percentage error of <5.5% for most of the selected performance variables. In addition, using the developed co-simulation platform, the demand response control strategy was studied to evaluate the load flexibility of the combined HPWH-PCM storage system by shifting system power usage to outside of the 3.5 h peak load period.

25 ENERGY STORAGE↗