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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

New Whole-House Solutions Case Study: Evaluating Through-Wall Air Transfer Fans, Pittsburgh, Pennsylvania

In this project, Building America team IBACOS performed field testing in a new construction unoccupied test house in Pittsburgh, Pennsylvania, to evaluate heating, ventilating, and air conditioning (HVAC) distribution systems during heating, cooling, and midseason conditions. The team evaluated a market-available through-wall air transfer fan system that provides air to the bedrooms.The relative ability of this system was considered with respect to relevant Air Conditioning Contractors of America and ASHRAE standards for house temperature uniformity and stability.

50% Building America Benchmark↗
DOE OSTI2017

Low-lying vibronic level structure of the ground state of the methoxy radical: Slow electron velocity-map imaging (SEVI) spectra and Köppel-Domcke-Cederbaum (KDC) vibronic Hamiltonian calculations

A joint experimental and theoretical study is reported on the low-lying vibronic level structure of the ground state of the methoxy radical using slow photoelectron velocity-map imaging spectroscopy of cryogenically cooled, mass-selected anions (cryo-SEVI) and Köppel-Domcke-Cederbaum (KDC) vibronic Hamiltonian calculations. The KDC vibronic model Hamiltonian in the present study was parametrized using high-level quantum chemistry, allowing the assignment of the cryo-SEVI spectra for vibronic levels of CH 3 O up to 2000 cm –1 and of CD 3 O up to 1500 cm –1 above the vibrational origin, using calculated vibronic wave functions. The adiabatic electron affinities of CH 3 O and CD 3 O are determined from the cryo-SEVI spectra to be 1.5689 ± 0.0007 eV and 1.5548 ± 0.0007 eV, respectively, demonstrating improved precision compared to previous work. Experimental peak splittings of <10 cm –1 are resolved between the e 1/2 and e 3/2 components of the 6 1 and 5 1 vibronic levels. A pair of spin-vibronic levels at 1638 and 1677 cm –1 were predicted in the calculation as the e 1/2 and e 3/2 components of 6 2 levels and experimentally resolved for the first time. The strong variation of the spin-orbit splittings with a vibrational quantum number is in excellent agreement between theory and experiment. In conclusion, the observation of signals from nominally forbidden a 1 vibronic levels in the cryo-SEVI spectra also provides direct evidence of vibronic coupling between ground and electronically excited states of methoxy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Fuel Pond Sludge - Lessons Learned from Initial De-sludging of Sellafield's Pile Fuel Storage Pond - 12066

The Pile Fuel Storage Pond (PFSP) at Sellafield was built and commissioned between the late 1940's and early 1950's as a storage and cooling facility for irradiated fuel and isotopes from the two Windscale Pile reactors. The pond was linked via submerged water ducts to each reactor, where fuel and isotopes were discharged into skips for transfer along the duct to the pond. In the pond the fuel was cooled then de-canned underwater prior to export for reprocessing. The plant operated successfully until it was taken out of operation in 1962 when the First Magnox Fuel Storage Pond took over fuel storage and de-canning operations on the site. The pond was then used for storage of miscellaneous Intermediate Level Waste (ILW) and fuel from the UK's Nuclear Programme for which no defined disposal route was available. By the mid 1970's the import of waste ceased and the plant, with its inventory, was placed into a passive care and maintenance regime. By the mid 1990s, driven by the age of the facility and concern over the potential challenge to dispose of the various wastes and fuels being stored, the plant operator initiated a programme of work to remediate the facility. This programme is split into a number of key phases targeted at sustained reduction in the hazard associated with the pond, these include: - Pond Preparation: Before any remediation work could start the condition of the pond had to be transformed from a passive store to a plant capable of complex retrieval operations. This work included plant and equipment upgrades, removal of redundant structures and the provision of a effluent treatment plant for removing particulate and dissolved activity from the pond water. - Canned Fuel Retrieval: Removal of canned fuel, including oxide and carbide fuels, is the highest priority within the programme. Handling and export equipment required to remove the canned fuel from the pond has been provided and treatment routes developed utilising existing site facilities to allow the fuel to be reprocessed or conditioned for long term storage. - Sludge Retrieval: In excess of 300 m{sup 3} of sludge has accumulated in the pond over many years and is made up of debris arising from fuel and metallic corrosion, wind blown debris and bio-organic materials. The Sludge Retrieval Project has provided the equipment necessary to retrieve the sludge, including skip washer and tipper machines for clearing sludge from the pond skips, equipment for clearing sludge from the pond floor and bays, along with an 'in pond' corral for interim storage of retrieved sludge. Two further projects are providing new plant processing routes, which will initially store and eventually passivate the sludge. - Metal Fuel Retrieval: Metal Fuel from early Windscale Pile operations and various other sources is stored within the pond; the fuel varies considerably in both form and condition. A retrieval project is planned which will provide fuel handling, conditioning, sentencing and export equipment required to remove the metal fuel from the pond for export to on site facilities for interim storage and disposal. - Solid Waste Retrieval: A final retrieval project will provide methods for handling, retrieval, packaging and export of the remaining solid Intermediate Level Waste within the pond. This includes residual metal fuel pieces, fuel cladding (Magnox, aluminium and zircaloy), isotope cartridges, reactor furniture, and miscellaneous activated and contaminated items. Each of the waste streams requires conditioning to allow it to be and disposed of via one of the site treatment plants. - Pond Dewatering and Dismantling: Delivery of the above projects will allow operations to progressively remove the radiological inventory, thereby reducing the hazard/risk posed by the plant. This will then allow subsequent dewatering of the pond and dismantling of the structure. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

Photo-fragmentation spectroscopy of benzylium and 1-phenylethyl cations

The electronic spectra of cold benzylium (C{sub 6}H{sub 5}-CH{sub 2}{sup +}) and 1-phenylethyl (C{sub 6}H{sub 5}-CH-CH{sub 3}{sup +}) cations have been recorded via photofragment spectroscopy. Benzylium and 1-phenylethyl cations produced from electrosprayed benzylamine and phenylethylamine solutions, respectively, were stored in a cryogenically cooled quadrupole ion trap and photodissociated by an OPO laser, scanned in parts of the UV and visible regions (600–225 nm). The electronic states and active vibrational modes of the benzylium and 1-phenylethyl cations as well as those of their tropylium or methyl tropylium isomers have been calculated with ab initio methods for comparison with the spectra observed. Sharp vibrational progressions are observed in the visible region while the absorption features are much broader in the UV. The visible spectrum of the benzylium cation is similar to that obtained in an argon tagging experiment [V. Dryza, N. Chalyavi, J. A. Sanelli, and E. J. Bieske, J. Chem. Phys. 137, 204304 (2012)], with an additional splitting assigned to Fermi resonances. The visible spectrum of the 1-phenylethyl cation also shows vibrational progressions. For both cations, the second electronic transition is observed in the UV, around 33 000 cm{sup −1} (4.1 eV) and shows a broadened vibrational progression. In both cases the S{sub 2} optimized geometry is non-planar. The third electronic transition observed around 40 000 cm{sup −1} (5.0 eV) is even broader with no apparent vibrational structures, which is indicative of either a fast non-radiative process or a very large change in geometry between the excited and the ground states. The oscillator strengths calculated for tropylium and methyl tropylium are weak. Therefore, these isomeric structures are most likely not responsible for these absorption features. Finally, the fragmentation pattern changes in the second and third electronic states: C{sub 2}H{sub 2} loss becomes predominant at higher excitation energies, for both cations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Basic studies of baroclinic flows

A fully nonlinear 3-dimensional numerical model (GEOSIM), previously developed and validated for several cases of geophysical fluid flow, has been used to investigate the dynamical behavior of laboratory experiments of fluid flows similar to those of the Earth's atmosphere. The phenomena investigated are amplitude vacillation, and the response of the fluid system to uneven heating and cooling. The previous year's work included hysteresis in the transition between axisymmetric and wave flow. Investigation is also continuing of the flows in the Geophysical Fluid Flow Cell (GFFC), a low-gravity Spacelab experiment. Much of the effort in the past year has been spent in validation of the model under a wide range of external parameters including nonlinear flow regimes. With the implementation of a 3-dimensional upwind differencing scheme, higher spectral resolution, and a shorter time step, the model has been found capable of predicting the majority of flow regimes observed in one complete series of baroclinic annulus experiments of Pfeffer and co-workers. Detailed analysis of amplitude vacillation has revealed that the phase splitting described in the laboratory experiments occurs in some but not all cases. Through the use of animation of the models output, a vivid 3-dimensional view of the phase splitting was shown to the audience of the Southeastern Geophysical Fluid Dynamics Conference in March of this year. A study on interannual variability was made using GEOSIM with periodic variations in the thermal forcing. Thus far, the model has not predicted a chaotic behavior as observed in the experiments, although there is a sensitivity in the wavenumber selection to the initial conditions. Work on this subject, and on annulus experiments with non-axisymmetric thermal heating, will continue. The comparison of GEOSIM's predictions will result from the Spacelab 3 GFFC experiments continued over the past year, on a 'back-burner' basis. At this point, the study (in the form of a draft of a journal article) is nearly completed. The results from GEOSIM compared very well with the experiments, and the use of the model allows the demonstration of flow mechanics that were not possible with the experimental data. For example, animation of the model output shows that the forking of the spiral bands is a transient phenomenon, due to the differential east-west propagation of convection bands from different latitudes.

Miller, Timothy L.↗
NASA NTRS1994

Three-Dimensional Navier-Stokes Method with Two-Equation Turbulence Models for Efficient Numerical Simulation of Hypersonic Flows

A new computational efficient 3-D compressible Reynolds-averaged implicit Navier-Stokes method with advanced two equation turbulence models for high speed flows is presented. All convective terms are modeled using an entropy satisfying higher-order Total Variation Diminishing (TVD) scheme based on implicit upwind flux-difference split approximations and arithmetic averaging procedure of primitive variables. This method combines the best features of data management and computational efficiency of space marching procedures with the generality and stability of time dependent Navier-Stokes procedures to solve flows with mixed supersonic and subsonic zones, including streamwise separated flows. Its robust stability derives from a combination of conservative implicit upwind flux-difference splitting with Roe's property U to provide accurate shock capturing capability that non-conservative schemes do not guarantee, alternating symmetric Gauss-Seidel 'method of planes' relaxation procedure coupled with a three-dimensional two-factor diagonal-dominant approximate factorization scheme, TVD flux limiters of higher-order flux differences satisfying realizability, and well-posed characteristic-based implicit boundary-point a'pproximations consistent with the local characteristics domain of dependence. The efficiency of the method is highly increased with Newton Raphson acceleration which allows convergence in essentially one forward sweep for supersonic flows. The method is verified by comparing with experiment and other Navier-Stokes methods. Here, results of adiabatic and cooled flat plate flows, compression corner flow, and 3-D hypersonic shock-wave/turbulent boundary layer interaction flows are presented. The robust 3-D method achieves a better computational efficiency of at least one order of magnitude over the CNS Navier-Stokes code. It provides cost-effective aerodynamic predictions in agreement with experiment, and the capability of predicting complex flow structures in complex geometries with good accuracy.

Bardina, J. E.↗
DOE OSTI2020

Indirect Excitons and Trions in MoSe 2 /WSe 2 van der Waals Heterostructures

Indirect excitons (IX) in semiconductor heterostructures are bosons, which can cool below the temperature of quantum degeneracy and can be effectively controlled by voltage and light. In this work, IX quantum Bose gases and IX devices were explored in GaAs heterostructures where an IX range of existence is limited to low temperatures due to low IX binding energies. IXs in van der Waals transition-metal dichalcogenide (TMD) heterostructures are characterized by large binding energies giving the opportunity for exploring excitonic quantum gases and for creating excitonic devices at high temperatures. TMD heterostructures also offer a new platform for studying single-exciton phenomena and few-particle complexes. In this work, we present studies of IXs in MoSe 2 /WSe 2 heterostructures and report on two IX luminescence lines whose energy splitting and temperature dependence identify them as neutral and charged IXs. The experimentally found binding energy of the indirect charged excitons, that is, indirect trions, is close to the calculated binding energy of 28 meV for negative indirect trions in TMD heterostructures. We also report on the realization of IXs with a luminescence line width reaching 4 meV at low temperatures. An enhancement of IX luminescence intensity and the narrow line width are observed in localized spots.

2D materials↗
NASA NTRS2002

Submillimeter Laboratory Investigations: Spectroscopy and Collisions

Currently, millimeter-wave and submillimeter-wave spectroscopy is conducted in our laboratory on several different types of spectrometers. Our standard spectrometer utilizes the output of a phase-locked klystron operating in the 40-60 GHz region, which is sent into a crossed-waveguide harmonic generator, or "multiplier". The high frequency millimeter-and submillimeter-wave radiation is transmitted via quasi-optical techniques through an absorption cell and then onto a detector, which is either an InSb hot electron bolometer cooled to 1.4 K or a Si bolometer cooled to 0.3 K. The detector response is sent to a computer for measurement and analysis. The frequency range produced and detected in this manner goes from 80 GHz to upwards of 1 THz. Spectra are normally taken with source modulation, with line frequencies typically measured to an accuracy of 50-100 kHz. Higher accuracy is available when needed. Recently, we developed a new, broad-band spectrometer in our laboratory based on a free-running backward wave oscillator (BWO) of Russian manufacture as the primary source of radiation. The so-called FASSST (fast-scan submillimeter spectroscopic technique) system uses fast-scan and optical calibration methods rather than the traditional locking techniques. The output power from the BWO is split such that 90% goes into the absorption cell while 10% is coupled to a 40-meter Fabry-Perot cavity, which yields fringe? for frequency measurement. Results from this spectrometer on the spectrum of nitric acid (HNO3) show that 100 GHz of spectral data can be obtained in 5 seconds with a measurement accuracy of 50 kHz. Currently, the frequency range of the FASSST system in our laboratory is roughly 100-700 GHz.

Herbst, Eric↗
DOE OSTI2024

Cooling Mixed A-Site Halide Perovskites: Impact of Temperature on Optical and Structural Properties

The widespread utilization of perovskite-based photovoltaics requires probing both the structural and optical properties under extreme operating conditions to gain a holistic understanding of the material behavior under stressors. Here, in this study, we investigate the temperature-dependent behavior of mixed A-site cation lead triiodide perovskite thin films (85% methylammonium and 15% formamidinium) in the range from 300 to 20 K. Through a combination of optical and structural techniques, we find that the tetragonal-to-orthorhombic phase transition occurs at similar to 110 K for this perovskite composition, as indicated by the change in the diffraction pattern. With decreasing temperature, the quantum yield increases with a concurrent elongation of the carrier lifetimes, indicating suppression of nonradiative recombination pathways. Interestingly, in contrast to single A-site cation perovskites, an additional optical transition appears in the absorption spectrum when the phase transition is approached, which is also reflected in the emission spectrum. We propose that the splitting of the optical absorption and emission is due to local segregation of the mixed cation perovskite during the phase transition.

36 MATERIALS SCIENCE↗
DOE OSTI2025

51 V NMR evidence for interlayer-modulated charge order and a first-order low-temperature transition in CsV 3 ⁢Sb 5

Charge order in the kagome superconductor CsV 3 ⁢Sb 5 exhibits a complex three-dimensional organization and intermediate-temperature anomalies whose bulk character has remained unsettled. We use orientation-dependent 51 V NMR as a site-selective probe to determine the stacking of the charge density wave (CDW) state and its thermal evolution. Below 𝑇 CDW ≈ 94K, the field-linear splitting of the 51 V central transition together with the anisotropy of the Knight shift tensor identify an interlayer-modulated 3⁢𝑞 CDW whose local environments are consistent with a four-layer 2 × 2 × 4 stacking with mixed trihexagonal/Star-of-David distortions, in agreement with synchrotron x-ray determinations. For comparison, RbV 3 ⁢Sb 5 serves as a reference exhibiting a uniform trihexagonal 2 × 2 × 2 stacking, allowing us to isolate features unique to the 2 × 2 × 4 state in CsV 3 ⁢Sb 5 . With 𝐻 0 ∥ 𝑐, the 51 V quadrupolar satellites through the intermediate temperature scale near 𝑇 CO ≈ 65K reorganize into two well-resolved electric-field-gradient manifolds that coexist over a finite interval; their relative spectral weights interchange on cooling while the total integrated satellite intensity remains conserved and 𝜈 𝑄 within each manifold is nearly temperature independent. The coexistence without critical broadening, together with conserved intensity, provides bulk evidence consistent with a first-order charge-order transition near 𝑇 CO . Our measurements do not resolve whether this lower-temperature transition corresponds to a distinct in-plane order or a reorganization of the 3⁢𝑞 state; rather, they delimit this window and provide bulk, site-resolved constraints that connect prior reported anomalies to a thermodynamic first-order transition.

Wang, Xiaoling [California State Univ., East Bay, ↗
NASA NTRS2007

Recirculation of Laser Power in an Atomic Fountain

A new technique for laser-cooling atoms in a cesium atomic fountain frequency standard relies on recirculation of laser light through the atom-collection region of the fountain. The recirculation, accomplished by means of reflections from multiple fixed beam-splitter cubes, is such that each of two laser beams makes three passes. As described below, this recirculation scheme offers several advantages over prior designs, including simplification of the laser system, greater optical power throughput, fewer optical and electrical connections, and simplification of beam power balancing. A typical laser-cooled cesium fountain requires the use of six laser beams arranged as three orthogonal pairs of counter-propagating beams to decelerate the atoms and hold them in a three-dimensional optical trap in vacuum. Typically, these trapping/cooling beams are linearly polarized and are positioned and oriented so that (1) counter-propagating beams in each pair have opposite linear polarizations and (2) three of the six orthogonal beams have the sum of their propagation directions pointing up, while the other three have the sum of their propagation directions pointing down. In a typical prior design, two lasers are used - one to generate the three "up" beams, the other to generate the three "down" beams. For this purpose, the output of each laser is split three ways, then the resulting six beams are delivered to the vacuum system, independently of each other, via optical fibers. The present recirculating design also requires two lasers, but the beams are not split before delivery. Instead, only one "up" beam and one oppositely polarized "down" beam are delivered to the vacuum system, and each of these beams is sent through the collection region three times. The polarization of each beam on each pass through the collection region is set up to yield the same combination of polarization and propagation directions as described above. In comparison with the prior design, the present recirculating design utilizes the available laser light more efficiently, making it possible to trap more atoms at a given laser power or the same number of atoms at a lower laser power. The present design is also simpler in that it requires fewer optical fibers, fiber couplings, and collimators, and fewer photodiodes for monitoring beam powers. Additionally, the present design alleviates the difficulty of maintaining constant ratios among power levels of the beams within each "up" or "down" triplet.

Enzer, Daphna G.↗
NASA NTRS2015

(40)Ar/(39)Ar Age of Hornblende-Bearing R Chondrite LAP 04840

Chondrites have a complex chronology due to several variables affecting and operating on chondritic parent bodies such as radiogenic heating, pressure and temperature variation with depth, aqueous alteration, and shock or impact heating. Unbrecciated chondrites can record ages from 4.56 to 4.4 Ga that represent cooling in small parent bodies. Some brecciated chondrites exhibit younger ages (much less than 4 to 4.4 Ga) that may reflect the age of brecciation, disturbance, or shock and impact events (much less than 4 Ga). A unique R chondrite was recently found in the LaPaz Icefield of Antarctica - LAP 04840. This chondrite contains approximately 15% hornblende and trace amounts of biotite, making it the first of its kind. Studies have revealed an equigranular texture, mineral equilibria yielding equilibration near 650-700 C and 250-500 bars, hornblende that is dominantly OH-bearing (very little Cl or F), and high D/H ratios. To help gain a better understanding of the origin of this unique sample, we have measured the (40)Ar/(39)Ar age (LAP 04840 split 39).

Righter, K.↗
DOE OSTI2014

Superconducting magnetic Wollaston prism for neutron spin encoding

A magnetic Wollaston prism can spatially split a polarized neutron beam into two beams with different neutron spin states, in a manner analogous to an optical Wollaston prism. Such a Wollaston prism can be used to encode the trajectory of neutrons into the Larmor phase associated with their spin degree of freedom. This encoding can be used for neutron phase-contrast radiography and in spin echo scattering angle measurement (SESAME). In this paper, we show that magnetic Wollaston prisms with highly uniform magnetic fields and low Larmor phase aberration can be constructed to preserve neutron polarization using high temperature superconducting (HTS) materials. The Meissner effect of HTS films is used to confine magnetic fields produced electromagnetically by current-carrying HTS tape wound on suitably shaped soft iron pole pieces. The device is cooled to ∼30 K by a closed cycle refrigerator, eliminating the need to replenish liquid cryogens and greatly simplifying operation and maintenance. A HTS film ensures that the magnetic field transition within the prism is sharp, well-defined, and planar due to the Meissner effect. The spin transport efficiency across the device was measured to be ∼98.5% independent of neutron wavelength and energizing current. The position-dependent Larmor phase of neutron spins was measured at the NIST Center for Neutron Research facility and found to agree well with detailed simulations. The phase varies linearly with horizontal position, as required, and the neutron beam shows little depolarization. Consequently, the device has advantages over existing devices with similar functionality and provides the capability for a large neutron beam (20 mm × 30 mm) and an increase in length scales accessible to SESAME to beyond 10 μm. With further improvements of the external coupling guide field in the prototype device, a larger neutron beam could be employed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2026

Multi-Split Variable Refrigerant Flow (VRF) System Building Energy Simulations Using Performance Maps

Multi-split variable refrigerant flow (VRF) systems are highly energy-efficient HVAC (heating, ventilation and air conditioning) technologies that connect a single outdoor unit to multiple independent indoor terminal units using a common refrigerant circuit and a variable-speed compressor. Building energy simulations that incorporate VRF systems help model their unique operational characteristics and predict energy consumption in specific building designs. Traditionally, EnergyPlus models these systems by employing multiple sets of performance curves to characterize both individual terminal units and the outdoor unit. However, producing these curves is labor intensive and error prone, and they often do not capture all the key input and output variables. This paper introduces a novel approach that uses multi-dimensional performance maps to model VRF systems in building environments for space cooling. In this approach, performance maps are developed at the component level—separately for the outdoor unit and for each indoor terminal. The new modeling method is validated within EnergyPlus via a Python plug-in that contains a simple solver loop to coordinate the component-level, indoor, and outdoor unit maps. Furthermore, because performance maps can span more variables than traditional performance curves, they offer the opportunity to implement advanced controls, such as enhanced dehumidification and compressor modulation. A VRF air conditioner’s hardware system was modeled using the DOE/ORNL Heat Pump Design Model, which was automated to produce extensive performance maps for both the indoor and outdoor units.

Shen, Bo [ORNL] (ORCID:0000000336600393)↗
DOE OSTI2019

Field testing of a spectrum-splitting transmissive concentrator photovoltaic module

Hybrid photovoltaic-thermal systems can decouple IR light from visible light, allowing it to be collected separately by spectrum-optimized mechanisms for increased total efficiency. To demonstrate this, we have designed and prototyped a transmissive spectrum-splitting concentrator photovoltaic module that maximizes solar energy conversion by utilizing the entire solar spectrum. The system first collects visible light using IR-transmissive triple-junction photovoltaic cells to achieve an in-band module efficiency of η m I B = 34.7% for light of wavelengths λ < 870 nm. Simultaneously, 58.8% of light with λ > 870 nm is transmitted through the cells for collection by a thermal receiver. By combining electrical and thermal power collection, 75% of incident solar power is collected, far surpassing the collection capability of only photovoltaics. The module was tested on a dual-axis tracked parabolic concentrator dish at up to 160 suns for 60 cumulative on-sun hours while maintaining photovoltaic cell temperatures at an average of 50 °C via active cooling. The system performed as expected based on modeled values, and represents a cost-effective path forward for dual-generation of electricity and high-temperature heat with increased total efficiency. The capability is valuable in a wide range of commercial and industrial cogeneration applications.

14 SOLAR ENERGY↗
DOE OSTI2018

High-resolution sub-Doppler infrared spectroscopy of atmospherically relevant Criegee precursor CH 2 I radicals: CH 2 stretch vibrations and “charge-sloshing” dynamics

The combination of a pulsed supersonic slit-discharge source and single-mode difference frequency direct absorption infrared spectroscopy permit first high resolution infrared study of the iodomethyl (CH 2 I) radical, with the CH 2 I radical species generated in a slit jet Ne/He discharge and cooled to 16 K in the supersonic expansion. Dual laser beam detection and collisional collimation in the slit expansion yield sub-Doppler linewidths (60 MHz), an absolute frequency calibration of 13 MHz, and absorbance sensitivities within a factor of two of the shot-noise limit. Fully rovibrationally resolved direct absorption spectra of the CH 2 symmetric stretch mode (ν 2 ) are obtained and fitted to a Watson asymmetric top Hamiltonian with electron spin-rotation coupling, providing precision rotational constants and spin-rotation tensor elements for the vibrationally excited state. Assessment of the asymmetric top rotational constants confirms a vibrationally averaged planar geometry in both the ground- and first-excited vibrational levels. Sub-Doppler resolution permits additional nuclear spin hyperfine structures to be observed, with splittings in excellent agreement with microwave measurements on the ground state. Spectroscopic data on CH 2 I facilitate systematic comparison with previous studies of halogen-substituted methyl radicals, with the periodic trends strongly correlated with the electronegativity of the halogen atom. Surprisingly, we do not observe any asymmetric CH 2 stretch transitions, despite S/N ≈ 25:1 on strongest lines in the corresponding symmetric CH 2 stretch manifold. This dramatic reversal of the more typical 3:1 antisymmetric/symmetric CH 2 stretch intensity ratio signals a vibrational transition moment poorly described by simple “bond-dipole” models. Instead, the data suggest that this anomalous intensity ratio arises from “charge sloshing” dynamics in the highly polar carbon-iodine bond, as supported by ab initio electron differential density plots and indeed consistent with observations in other halomethyl radicals and protonated cluster ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Verification of a VRF Heat Pump Computer Model in EnergyPlus

This paper provides verification results of the EnergyPlus variable refrigerant flow (VRF) heat pump computer model using manufacturer's performance data. The paper provides an overview of the VRF model, presents the verification methodology, and discusses the results. The verification provides quantitative comparison of full and part-load performance to manufacturer's data in cooling-only and heating-only modes of operation. The VRF heat pump computer model uses dual range bi-quadratic performance curves to represent capacity and Energy Input Ratio (EIR) as a function of indoor and outdoor air temperatures, and dual range quadratic performance curves as a function of part-load-ratio for modeling part-load performance. These performance curves are generated directly from manufacturer's published performance data. The verification compared the simulation output directly to manufacturer's performance data, and found that the dual range equation fit VRF heat pump computer model predicts the manufacturer's performance data very well over a wide range of indoor and outdoor temperatures and part-load conditions. The predicted capacity and electric power deviations are comparbale to equation-fit HVAC computer models commonly used for packaged and split unitary HVAC equipment.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗