Generalized Boltzmann plots for temperature measurements of radiation flow on OMEGA
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Kozlowski, Pawel Marek↗
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Strain mediated coupling in magnetron sputtered multiferroic PZT/Ni-Mn-In/Si thin film heterostructure
The strain mediated electrical and magnetic properties were investigated in PZT/Ni-Mn-In heterostructure deposited on Si (100) by dc/rf magnetron sputtering. X-ray diffraction pattern revealed that (220) orientation of Ni-Mn-In facilitate the (110) oriented tertragonal phase growth of PZT layer in PZT/Ni-Mn-In heterostructure. A distinctive peak in dielectric constant versus temperature plots around martensitic phase transformation temperature of Ni-Mn-In showed a strain mediated coupling between Ni-Mn-In and PZT layers. The ferroelectric measurement taken at different temperatures exhibits a well saturated and temperature dependent P-E loops with a highest value of P{sub sat}~55 μC/cm² obtained during martensite-austenite transition temperature region of Ni-Mn-In. The stress induced by Ni-Mn-In layer on upper PZT film due to structural transformation from martensite to austenite resulted in temperature modulated Tunability of PZT/Ni-Mn-In heterostructure. A tunability of 42% was achieved at 290 K (structural transition region of Ni-Mn-In) in these heterostructures. I-V measurements taken at different temperatures indicated that ohmic conduction was the main conduction mechanism over a large electric field range in these heterostructures. Magnetic measurement revealed that heterostructure was ferromagnetic at room temperature with a saturation magnetization of ~123 emu/cm³. Such multiferroic heterostructures exhibits promising applications in various microelectromechanical systems.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Synthesis and properties of a new quadruple perovskite: A-site ordered PbMn{sub 3}Mn{sub 4}O{sub 12}
PbMn{sub 3}Mn{sub 4}O{sub 12} a quadruple perovskite was prepared by high pressure and high temperature synthesis. Powder X-ray diffraction (PXD) and differential scanning calorimetry reveal a structural phase transition at {approx}380 K. Rietveld refinement of the synchrotron room temperature data indicate rhombohedral symmetry (R-3) with a=6.43675(4) A and {alpha}=109.556(2) Degree-Sign . Similar 423 K PXD data refined in a body centered cubic cell (Im-3) with a=7.4283(9) A. The temperature variation of magnetization, shows a magnetic field dependent antiferromagnetic-like transition at 68 K, and dynamic fluctuations indicative of magnetic frustration. The semiconducting electrical behavior indicates a large decrease in the conductivity near 68 K. The temperature dependence of the real part of the dielectric constant, {epsilon}{sub real} increases dramatically at {approx}68 K, and shows relaxor-type ferroelectric behavior as a function of frequency. The intimate coupling of magnetic, electrical and dielectric properties at 68 K in PbMn{sub 3}Mn{sub 4}O{sub 12} suggests possible multiferroic behavior. - Graphical abstract: Resistance vs. temperature plot showing drastically increasing resistances at temperatures below 68 K (a). Formation of a frequency dependency of the dielectric constant between 68 K and ambient temperature (b). Sharp cusp in the magnetic susceptibility observed at 68 K which is suppressed with increasing magnetic field (c) indicates coupling of magnetic, electric and dielectric effects. Highlights: Black-Right-Pointing-Pointer PbMn{sub 3}Mn{sub 4}O{sub 12} a quadruple perovskite was prepared at high pressure. Black-Right-Pointing-Pointer A structural transition is seen at 380 K from space group R-3-to-Im-3. Black-Right-Pointing-Pointer An antiferromagnetic transition is observed at 68 K. Black-Right-Pointing-Pointer It is semiconducting with a large decrease in the conductivity near 68 K. Black-Right-Pointing-Pointer The temperature dependence of the dielectric constant increases dramatically at 68 K. Black-Right-Pointing-Pointer Coupling of magnetic, electric and dielectric behavior suggests multiferroicity.
36 MATERIALS SCIENCE↗
An investigation of low temperature electronic phase arrest in Sm{sub 0.55}Sr{sub 0.45}MnO{sub 3} phase separated manganite
The temperature dependence of electronic-transport and magneto-transport of polycrystalline Sm{sub 0.55}Sr{sub 0.45}MnO{sub 3} manganite at low temperatures has been investigated in detail. The low temperature resistivity data show a distinct minimum in the resistivity versus temperature plots for all fields. The low temperature resistivity upturn below this minimum has been fitted to an expression, which includes three terms, namely, residual resistivity, inelastic scattering, and electron-electron (e-e) interaction or Kondo effects. It has been found that the dominating mechanism is e-e interaction. The resistivity of the sample shows strong dependence on the magnetic field–temperature history. The electronic-transport property clearly confirms that the electronic phase of the sample gets arrested to a low resistive state during field cooling and cannot return to its original state even after the magnetic field is removed. The magnetoresistance of the sample also shows a strong irreversibility with respect to the sweeping of the magnetic field between its highest positive and negative values. Moreover, the resistivity of the sample is found to be time dependent. All the observed phenomena have been explained through the phase separation scenario and kinetic arrest of electronic phase.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Tropical Forest Soil Microbiome Modulates Leaf Heat Tolerance More Strongly Under Warming Than Ambient Conditions
ABSTRACT It is unclear how plants respond to increasing temperatures. Leaf heat tolerance (LHT) is often at its upper limit in tropical forests, suggesting that climate change might negatively impact these forests. We hypothesized that intraspecific variation in LHT might be associated with changes in the soil microbiome, which might also respond to climate. We hypothesized that warming would increase LHT through changes in the soil microbiome: we combined an in situ tropical warming experiment with a shade house experiment in Puerto Rico. The shade house experiment consisted of growing seedlings of Guarea guidonia , a dominant forest species, under different soil microbiome treatments (reduced arbuscular mycorrhizal fungi, reduced plant pathogens, reduced microbes, and unaltered) and soil inoculum from the field experiment. Heat tolerance was determined using chlorophyll fluorescence ( F V /F m ) on individual seedlings in the field and on groups of seedlings (per pot) in the shade house. We sequenced soil fungal DNA to analyze the impacts of the treatments on the soil microbiome. In the field, seedlings from ambient temperature plots showed higher F V /F m values under high temperatures (0.648 at 46°C and 0.067 at 52°C) than seedlings from the warming plots (0.535 at 46°C and 0.031 at 52°C). In the shade house, the soil microbiome treatments significantly influenced the fungal community composition and LHT ( T crit and F V /F m ). Reduction in fungal pathogen abundance and diversity altered F V /F m before T 50 for seedlings grown with soil inoculum from the warming plots but after T 50 for seedlings grown with soil inoculum from the ambient plots. Our findings emphasize that the soil microbiome plays an important role in modulating the impacts of climate change on plants. Understanding and harnessing this relationship might be vital for mitigating the effects of warming on forests, emphasizing the need for further research on microbial responses to climate change.
Hernandes Villani, Gabriela [Department of Plant B↗
In-Sodium Testing of a Prototype Thermoacoustic Power Sensor for Sodium-Cooled Fast Reactors
The ultimate goal of this project is to develop and demonstrate a thermoacoustic power sensor (TAPS) for Sodium-Cooled Fast Reactors (SFRs), with potential application also envisioned to other nuclear technologies such as Lead-Cooled Fast Reactors (LFRs), Molten Salt Reactors (MSRs), in addition to Light Water Reactors (LWRs). The project was led by Westinghouse Electric Company, LLC (Westinghouse) and carried out in collaboration with Argonne National Laboratory (ANL) and the University of Pittsburgh. A TAPS is a passive (self-powered), non-invasive (wireless) sensor envisioned for measuring key parameters, such as local temperature and neutron flux, in a nuclear reactor core. The sensor generates pressure waves (i.e., sound waves) with a frequency and amplitude dependent upon nuclear operating conditions (coolant temperature or power changes). The acoustic waves are able to travel through the core and associated structures, and reach to the sensor network placed outside and/or inside of the reactor vessel. These sensors require a very small amount of power which, during loss of power events, can be provided, for example, by harvesting gamma radiation energy, thus resulting in a monitoring system that can function both during normal operation and during loss of power events. Westinghouse and the University of Pittsburgh designed and fabricated TAPS prototypes for Argonne National Laboratory (ANL) to carry out in-sodium testing to evaluate the effects of sodium on the TAPS and the performance of the TAPS technique in sodium. Argonne received a TAPS prototype from Westinghouse, and the prototype was modified such that it can be installed into a test vessel and function in sodium at elevated temperature without potentially leaking. A water mockup test apparatus was constructed to validate proper working of the prototype. An instrumentation and control (I&C) system, running on the National Instruments (NI) LabView platform, was developed to: 1) operate both the water mockup test and the in-sodium test facility; and 2) process and analyze the received acoustic signals from an array of accelerometers and the Argonne sodium-submersible high-temperature acoustic sensor. The prototype was successfully tested in a water bath at different temperatures. Water mockup tests demonstrated that the TAPS prototype is working properly and its resonance frequency changes linearly with the coolant (water) temperature. A TAPS test apparatus was constructed and integrated with the upgraded Under-Sodium Viewing (USV) sodium test facility. The integrated USV-TAPS sodium test facility has been operational. The TAPS prototype and a high-temperature sodium-submersible acoustic sensor (SSAS) developed by Argonne were both installed inside the TAPS test vessel. Being operated within argon cover gas under ambient conditions, the TAPS prototype demonstrated that it was functioning properly with a resonance frequency at 1407.2 Hz, which was successfully detected by the accelerometers mounted on the external wall of the vessel and the high-temperature SSAS installed inside the vessel. After successfully transferring sodium into the vessel, in-sodium tests of the prototype were conducted. Tests of the TAPS prototype demonstrated that the resonance frequency of the TAPS changes linearly with respect to the temperature difference between the interior of the TAPS and bulk sodium. The early tests showed that the TAPS prototype could not establish a continuous and consistent resonance in sodium. The resonance diminished before the prototype reached its operating temperature. A signal postprocessor was added to the DAQ module latterly to isolate interferences, enhance signal conditioning, improve peak detection, and generate resonance frequency versus temperature plots. After testing in molten sodium and immersion at higher temperature for several weeks, the TAPS prototype was able to establish a continuous resonance. Performance evaluation of the TAPS prototype was then conducted in sodium. The tests included the investigation of 1) the effects of the temperature difference between the TAPS and bulk sodium, 2) the effects of sodium flowrate; and 3) the performance of the different sensor-receiver systems positioned inside or outside the vessel. Results of a test demonstrated that, with limited sodium circulation, a continuous and consistent resonance of the TAPS prototype was established occasionally. The tests also demonstrated that, because of the nature of detection principles and mounting methods, the high temperature SSAS is more affected by acoustic noise, while accelerometers are more affected by vibrations, in the test environment. It is unknown why the TAPS prototype only occasionally established a continuous and consistent resonance when the TAPS temperature reached its operating temperature in molten sodium, and why it ultimately failed to resonate at all. A failure modes assessment was conducted and a few potential causes of failure were identified. Different post in-sodium tests were conducted to obtain additional information potentially relevant to the cause of the failure. Nondestructive evaluation techniques are suggested to examine the internal integrity as well as the gas mixture of the prototype. If they prove inconclusive, the prototype should be cut open to conduct a thorough inspection of its internal integrity and determine the state of the gas mixture.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
SPRUCE Deep Peat Microbial Diversity, CO2 and CH4 Production in Response to Nutrient, Temperature, and pH Treatments during Incubation Studies
This dataset contains the results of a microcosm incubation study on deep peat collected from the Spruce and Peatland Responses Under Changing Environments (SPRUCE) experimental site within the Marcell Experimental Forest in northern Minnesota, USA in September 2014. Microcosms were monitored for carbon dioxide (CO2) and methane (CH4) production, and microbial community dynamics were assessed using quantitative polymerase chain reaction (qPCR) and amplicon sequencing. The experiment was designed with a full factorial design with elevated temperature, nitrogen (N), (P), and pH treatments was used with samples from each transect serving replicates. In all, 96 microcosms were constructed to account for the 16 treatment combinations (Nitrogen x Phosphorous x pH x temperature), 2 time points, and 3 replicates. Temperature treatments were 6 degrees C, to mimic the SPRUCE ambient plot temperatures, and 15 degrees C to mimic the SPRUCE +9 degrees C treatment. These data show that one year of deep peat warming, microbial community structure and abundance of bacterial, archaeal, fungal, and methanogenic populations showed strong vertical stratification across the peat depth profile yet no clear response to the temperature treatments (Kluber et al, 2020). In an effort to identify factors that may be limiting decomposition and microbial community change in deep peat, we conducted an anerobic microcosm incubation of deep peat (150-200 cm depth). This dataset contains one data file in comma-separate values (*.csv) format. Additional metadata are provided: a data dictionary and a file-level metadata file in comma-separate values (.csv) format and a user guide in PDF (*.pdf) format.
54 ENVIRONMENTAL SCIENCES↗
Exploration of the mechanisms of temperature-dependent grain boundary mobility: Search for the common origin of ultrafast grain boundary motion
The temperature dependence of grain boundary mobility is complex, varied, and rarely fits ideal Arrhenius behavior. This work presents a series of case studies of planar grain boundaries in a model FCC system that were previously demonstrated to exhibit a variety of temperature-dependent mobility behaviors. It is demonstrated that characterization of the mobility versus temperature plots is not sufficient to predict the atomic motion mechanism of the grain boundaries. Herein, the temperature-dependent motion and atomistic motion mechanisms of planar grain boundaries are driven by a synthetic, orientation-dependent, driving force. The systems studied include CSL boundaries with Σ values of 5, 7, and 15, including both symmetric and asymmetric boundaries. These boundaries represent a range of temperature-dependent trends including thermally activated, antithermal, and roughening behaviors. Examining the atomic-level motion mechanisms of the thermally activated boundaries reveals that each involves a complex shuffle, and at least one atom that changes the plane it resides on. The motion mechanism of the antithermal boundary is qualitatively different and involves an in-plane coordinated shuffle that rotates atoms about a fixed atom lying on a point in the coincident site lattice. Furthermore, this provides a mechanistic reason for the observed high mobility, even at low temperatures, which is due to the low activation energy needed for such motion. However, it will be demonstrated that this mechanism is not universal, or even common, to other boundaries exhibiting non-thermally activated motion. This work concludes that no single atomic motion mechanism is sufficient to explain the existence of non-thermally activated boundary motion.
36 MATERIALS SCIENCE↗
Thermal Decomposition of Mixed Foams used as Encapsulant Materials
Decomposition profiles for individual and mixed foam samples were examined in partially confined and unconfined environments. The weight percent loss versus temperature plots for the individual and mixed foams show that foams in a partially confined environment experience decomposition at a higher onset temperature than do foams in an unconfined environment. Likewise, the decomposition profiles of foams and mixed foams in a partially con fined environment differed from the decomposition profiles of these materials in an unconfined environment. These results suggest that different environments affect the decomposition mechanisms of foams. Furthermore, derivative thermogravimetric analysis showed that mixed foam samples decompose differently than do their individual parts, indicating that a foam will undergo a different mechanism of decomposition when heated in the presence of other foams than when heated alone.
36 MATERIALS SCIENCE↗
Experimental determination of phonon thermal conductivity and Lorenz ratio of single crystal metals: Al, Cu, and Zn
We use a magnetothermal resistance method to measure lattice thermal conductivity of pure single crystal metals over the intermediate temperature range of 5–60 K. Large transverse magnetic fields are applied to suppress electronic thermal conduction. The total thermal conductivity and the electrical conductivity are measured as functions of applied magnetic field. The lattice thermal conductivity is then extracted by extrapolating the thermal conductivity versus electrical conductivity curve at zero electrical conductivity. We used this method to experimentally measure the lattice thermal conductivity and Lorenz number in single crystal Al (100), Cu (100), and Zn (001) in the intermediate temperature range. Our results show that the measured phonon thermal conductivity versus temperature plot has a peak around ΘD/10, and the Lorenz number is found to deviate from the Sommerfeld value in the intermediate temperature range.
Yao, Mengliang↗
Insulation end life determination for completed form-wound generators
Tests were conducted to predict remaining electrical insulation life of a polyimide-epoxy insulated 60 kW form-wound homopolar inductor generator following completion of 23,130 hours of turbo-generator endurance tests. The generator stator was sectioned to provide five sections, designated statorettes, and to permit 33 coil dielectric measurements on each section. Thermal aging tests were conducted on each section at select elevated temperatures to establish an Arrhenius life-temperature plot for end-life prediction and product or application use. The statorette fabrication technique is considered novel and provides means to establish insulation life-temperature profiles on completed electromagnetic components of rotating machines.
Penn, W. B.↗
Some flow phenomena associated with aligned, sequential apertures with Borda-type inlets
Choked flow rate and pressure profile data were taken and studied for a configuration consisting of four axially aligned, sequential Borda tubes of 1.9 length diameter ratio with separation distances of 0.8 and 30 tube diameters. For either case the flow rate data could be represented by a flow coefficient reduced temperature plot. At a separation distance of 30 tube diameters the pressure profiles dropped sharply at the entrance and recovered within each Borda tube; except at low temperatures, where fluid jetting through the last Borda tube occurred. At a separation distance of 0.8 tube jetting was prevalent, and application of a significant backpressure did not alter the jetting. These results agree with other data for tubes with Borda or sharp edge orifice inlets and with a water flow visualization study reported herein.
Hendericks, R. C.↗
Evaluation and Analysis of Seasat a Scanning Multichannel Microwave Radiometer (SMMR) Antenna Pattern Correction (APC) Algorithm
The accuracy of the SEASAT-A SMMR antenna pattern correction (APC) algorithm was assessed. Interim APC brightness temperature measurements for the SMMR 6.6 GHz channels are compared with surface truth derived sea surface temperatures. Plots and associated statistics are presented for SEASAT-A SMMR data acquired for the Gulf of Alaska experiment. The cross-track gradients observed in the 6.6 GHz brightness temperature data are discussed.
Kitzis, S. N.↗
Flow through aligned sequential orifice type inlets
Chocked flow rate and pressure profile data were taken and studied for configurations consisting of four axially aligned, sequential orifice inlets of 0.5 length diameter ratio with separation distances of 0.66 and 32 diameters. A flow coefficient - reduced temperature plot represents the flow rate data for the two cases. At a separation distance of 32 diameters the pressure profiles dropped sharply at the entrance and partially recovered within each orifice - the exception being at low temperatures, where fluid jetting through the last orifice occurred. At a separation distance of 0.66 diameter fluid jetting was prevalent at the lower inlet temperatures. These results are in qualitative agreement with data for four axially aligned, sequential Borda inlets and for tubes with single sharp edge orifice or Borda inlets to L/D's of 105 and with a water flow visualization study.
Hendricks, R. C.↗
Martian B Storm Genesis and Evolution: Initial Analysis of Thermal Datasets.
Introduction: Dust lifting on Mars likely occurs primarily as a result of the exchange of momentum between the atmosphere and the surface via saltation. During saltation, sand-sized particles are mobilized but do not enter into suspension. When these larger particles fall back to the surface, kinetic energy is transferred to smaller dust particles which are then lofted into suspension in the atmosphere. Depending on the altitude to which dust is lofted, it can have a significant effect on atmospheric temperatures. As a strong absorber and emitter in the infrared, dust can influence atmospheric heating and modify the global circulation and weather on Mars [1,2]. Although dust is present in Mars’ atmosphere throughout the year, the atmosphere is generally dustier during the second half of the year when Mars is near perihelion. Observations reveal that episodic global-scale dust storms and fairly regular regional-scale dust storms are superimposed on a well-defined and highly repeatable seasonal cycle of dust opacity and associated mid-level atmospheric temperature responses. Kass et al. (2016) used 50 Pa temperature observations from MRO/MCS to identify three highly repeatable time periods during which regional dust storms occur, and designated them the “A”, “B” and “C” storms. While “A” and “C” storms have been studied a fair amount to-date, “B” storms have not yet been investigated in detail. This study explores the generation and evolution of the annually recurring regional dust storm known as the “B” storm, which was identified and categorized by Kass et al. (2016) based on 25 km (50 Pa) temperature observations. The B storm is a southern-hemisphere (SH) phenomenon that originates at the cap edge just after perihelion and which reaches peak intensity during the SH summer solstice, Ls 270. It may originate from the cap edge storms that spawn near the edge of the seasonal CO2 cap during retreat, but the mechanisms for B storm genesis have yet to be determined definitively [1]. Methods: We will use observational data sets and a global climate model (GCM) to investigate “B” regional storms. The data analysis component will include the analysis of imagery from MGS/MOC and MRO/MARCI, and spectroscopic data sets of dust and temperatures from MGS/TES and MRO/MCS with the goal of fully characterizing the behavior of these storms. Both MGS and TES provide data well-suited for temperature analysis at 25 km. MCS measures atmospheric temperature, dust extinction, and water ice extinction at 5 km intervals from the surface to about 80 km. TES measured atmospheric temperatures, column dust and water ice opacities, and column water vapor abundances. Measurements made by TES extended from the surface to about 40 km [1]. At the 50 Pa (25 km) level, local dust events usually confined to shallower depths are effectively filtered out of the analysis leaving the regional dust events identifiable by their temperature signatures [1]. Our preliminary analysis makes use of the fact that the brightness temperature at 15 microns (T15 temperature) is a close approximation to observed temperature at 25 km. We first reproduce the zonal mean 50 Pa level temperature plots for MY 29-32 to establish a baseline for our procedures moving forward [1]. Expanding on Kass et al. (2016), we include recent MCS data from MY 33 and 34 as well. Preliminary Analysis: The daytime (3PM) T15 temperatures in Figure 1 indicate: in MY 29, a strong A storm at Ls 240, a B storm at high southern latitudes just after Ls 270, and a C storm at Ls 320; in MY 30, a B storm at Ls 270; in MY 31 & MY 32, a B storm just before Ls 270; in MY 33, a B storm at Ls 270; and in MY 34, a strong A storm in the northern hemisphere at Ls 210, and a B storm around Ls 270 although there is a data gap. For the B storms, each is indicative of lofted dust and resultant warming. The daytime temperature structure illustrates that the B storm occurs annually around Ls 270 and is confined to high southern latitudes. It reaches its peak intensity around SH summer solstice, Ls 270, consistently for all six MY assessed. Since direct solar heating is absent overnight, the nighttime T15 temperatures (Figure 2) are often useful for differentiating the heat signature of direct solar heating from the dynamical response to that heating. However, in the southern polar latitudes at perihelion the sun does not set and direct solar heating remains present throughout the night. Importantly for our study, dust lofted in the B storm experiences this direct heating day and night for the entirety of its lifetime. The B storm expands as far north as -60 latitude and decays in latitudinal extent more gradually than it grows. This feature is less obvious in the nighttime (3AM) T15 temperatures (Figure 2). The temperature signal is stronger at night for MY 30-33. The warm pool is larger in area relative to the background at night in these four cases. This more uniform warming masks the “tail” feature somewhat, such that it is barely noticeable during these years. Unfortunately, gaps in MCS data in MY 29 and 34 prevent confirmation of the tail feature during those years, however, the B storm temperature signature follows a very different pattern than that described for MY 30-33. MY 29 and 34 appear to show smaller centers of warming at night and larger centers of warming during the day. This is in opposition to that previously described for MY 30-33. Conclusions and Future Work: We will continue investigating the heat signatures of B storms by looking at the total column heating as recorded by TES. We will also look at lower altitudes for patterns that may describe the relationship between B storms and the cap edge storms that develop while the seasonal cap is retreating. In the future, we will use GCM simulations to determine the atmospheric and thermo-dynamic conditions associated with these storms.
Courtney Marylou Batterson↗
Flow through axially aligned sequential apertures of the orifice and Borda types
Choked flow rate and pressure profile data were obtained and studied for two axially aligned sequential configurations consisting of four Borda type inlets of 1.9 1/D with two separation distances of 0.8 and 30 diameters and four orifice type inlets of 0.5 1/D with two separation distances of 0.66 and 32 diameters. Data were obtained using fluid nitrogen over the reduced inlet temperature and pressure range 0.68 T/T sub c gas and P/P sub c to 2. A flow coefficient reduced temperature plot can be used to represent the flow rate data for each geometry. At the larger separation distances, the pressure profiles dropped sharply at the entrance and partially recovered within each of the Borda and orifice inlet configurations; the exception being the last inlet where at low entrance temperatures, fluid jetting could occur. For the smaller spacings fluid jetting was prevalent throughout each of the inlet configurations at lower inlet temperatures. These results are in qualitative agreement with data of tubes with single Borda or sharp edge orifice type inlets to 105 1/D and water flow visualization studies.
Hendricks, R. C.↗
Flow through axially aligned sequential apertures of the orifice and Borda types
Choked flow rate and pressure profile data were taken and studied for two axially aligned sequential configurations consisting of: (1) Four Borda type inlets of 1.9 1/D with two separation distances of 0.8 and 30 diameters. (2) Four orifice type inlets of 0.5 1/D with two separation distances of 0.66 and 32 diameters. A flow-coefficient reduced-temperature plot can be used to represent the flow rate data for each geometry. At the larger separation distances, the pressure profiles dropped sharply at the entrance and partially recovered within each of the Borda and orifice inlet configurations; the exception being the last inlet where at low entrance temperatures, fluid jetting could occur. For the smaller spacings fluid jetting was prevalent throughout each of the inlet configurations at lower inlet temperatures. These results are in qualitative agreement with data of tubes with single Borda or sharp-edge orifice type inlets to 105 1/D and water flow visualization studies.
Hendricks, R. C.↗
Excess entropy and crystallization in Stillinger-Weber and Lennard-Jones fluids
Molecular dynamics simulations are used to contrast the supercooling and crystallization behaviour of monatomic liquids that exemplify the transition from simple to anomalous, tetrahedral liquids. As examples of simple fluids, we use the Lennard-Jones (LJ) liquid and a pair-dominated Stillinger-Weber liquid (SW{sub 16}). As examples of tetrahedral, water-like fluids, we use the Stillinger-Weber model with variable tetrahedrality parameterized for germanium (SW{sub 20}), silicon (SW{sub 21}), and water (SW{sub 23.15} or mW model). The thermodynamic response functions show clear qualitative differences between simple and water-like liquids. For simple liquids, the compressibility and the heat capacity remain small on isobaric cooling. The tetrahedral liquids in contrast show a very sharp rise in these two response functions as the lower limit of liquid-phase stability is reached. While the thermal expansivity decreases with temperature but never crosses zero in simple liquids, in all three tetrahedral liquids at the studied pressure, there is a temperature of maximum density below which thermal expansivity is negative. In contrast to the thermodynamic response functions, the excess entropy on isobaric cooling does not show qualitatively different features for simple and water-like liquids; however, the slope and curvature of the entropy-temperature plots reflect the heat capacity trends. Two trajectory-based computational estimation methods for the entropy and the heat capacity are compared for possible structural insights into supercooling, with the entropy obtained from thermodynamic integration. The two-phase thermodynamic estimator for the excess entropy proves to be fairly accurate in comparison to the excess entropy values obtained by thermodynamic integration, for all five Lennard-Jones and Stillinger-Weber liquids. The entropy estimator based on the multiparticle correlation expansion that accounts for both pair and triplet correlations, denoted by S{sub trip}, is also studied. S{sub trip} is a good entropy estimator for liquids where pair and triplet correlations are important such as Ge and Si, but loses accuracy for purely pair-dominated liquids, like LJ fluid, or near the crystallization temperature (T{sub thr}). Since local tetrahedral order is compatible with both liquid and crystalline states, the reorganisation of tetrahedral liquids is accompanied by a clear rise in the pair, triplet, and thermodynamic contributions to the heat capacity, resulting in the heat capacity anomaly. In contrast, the pair-dominated liquids show increasing dominance of triplet correlations on approaching crystallization but no sharp rise in either the pair or thermodynamic heat capacities.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗