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DOE OSTI2025

Detailed Design and Cost Estimation of a 300 MWe Oxy-Fuel sCO2 Turbine

The detailed design of a 300 MWe, utility scale oxy-fuel turbine has been completed for purposed operation in the sCO2 direct fired Allam-Fetvedt cycle, targeting near-zero emissions and a 50% LHV system efficiency. The turbine and its supporting plant aim to offer a lower levelized cost of energy than a natural gas combined cycle plant employing carbon capture. The oxy-fuel turbine conditions include an inlet temperature of 1150°C and inlet pressure of 305 bar, representing temperatures near that of a gas turbine simultaneously with pressures near an ultra-supercritical steam turbine. The combustor housing and turbine designs were completed according to the ASME BPVC; the turbine case specifically incorporates a multi-body design with inner high-pressure barrel case and low-pressure (30 bar) horizontally split outer case of low-chromium steel material. Lateral rotordynamic evaluation demonstrated acceptable vibration response for a range of imbalance conditions per API standards. The cooling flow required in the six-stage turbine flowpath for 30,000 hr. blade and stator lifetime is predicted through thermal and structural modeling of the first stage. The provided cost estimate of the turbine is formed through a combination of scaled up-costs from procured 10 MWe scale sCO2 turbomachinery hardware, and vendor provided budgetary quotes of larger components including the turbine case requiring casting, welding, and final machining processes. The performance and cost estimation of the oxy-fuel turbine predicted for the completed detailed design provides important information towards future development needs for market penetration of utility scale direct fired sCO2 power cycles.

Marshall, Michael [Southwest Research Institute, S↗

DOE OSTI2012

Feasibility Study: Ductless Hydronic Distribution Systems with Fan Coil Delivery

Hydronic distribution systems have a long history, and are widely used in commercial buildings. As with mini-split heat pumps, hydronic systems using small terminal fan coils have the potential to provide high-quality comfort to homes that have small heating and cooling loads, but at a lower cost and with greater flexibility. These “ductless hydronic” distribution systems eliminate space requirements needed for ducting, eliminate duct thermal losses, and are easy to zone. Since heat pump chiller-heaters can be charged with refrigerant at the factory, hydronic systems also avoid refrigerant system faults such as incorrect charge and inadequate evacuation of lines that can lead to sub-standard performance. Other advantages include: reduction in the amount of energy required to deliver heating and cooling, reduced equipment cycling, and the potential for incorporating energy storage for peak load avoidance and demand response. Ductless hydronic systems are best suited for new homes, but with the relative ease of installing piping in attic spaces (for example under attic insulation), they are also suitable for existing homes that have old, leaky, and poorly insulated ducts. With a broader and more affordable product offering from manufacturers, installation guidelines, and contractor training, this method of distribution has significant potential to meet the space conditioning needs of high performance homes. The primary objectives of this study are to estimate potential energy savings relative to conventional ducted air distribution, and to identify equipment requirements, costs, and barriers. The analysis focuses on ductless hydronic delivery systems that use water-to-air terminal units in each zone. This system type is applicable in all climate regions and can provide sensible and latent cooling and/or heating using a single hot and chilled water source such as a heat pump, or a separate water heater and chiller. Results of TRNSYS modeling indicate that annual heating and cooling energy use (site and source) can be reduced by up to 22% when substituting pipes, pump, small distributed fan coils, and a water-to-air heat pump for the ducts, air handler, indoor coil, and conventional air-to-air heat pump unit of similar rating as the air-to-water unit. Of the 22% savings, on average 36% is attributable to the lower energy required by pumps and small fans vs. air handler blowers, and 64% to the reduced losses from pipes as compared to ducts. Using the modeled energy savings and estimated costs, hydronic distribution appears to be economically viable in three of the four climates evaluated. Other current field studies of air-to-water heat pumps coupled to radiant floor systems are demonstrating heat pump performance that exceeds seasonal performance calculated using a standard heat pump performance map (German, 2011a, German, 2011b). Hydronic distribution systems can meet sensible and latent cooling needs in all climates. Major barriers to widespread application include the lack of low-cost, small, ceiling-mounted fan coils, and the limited availability and higher cost of air-to-water heat pumps. The latter could be overcome by the production of an add-on refrigerant-to-water conversion kit that could be used to adapt any heat pump to serve as a water chiller-heater. Development of accurate performance maps and additional data on field performance are areas that should be targeted by future research.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

The Water Ingress Effects on the Reactivity Change of the Conceptual Designed Reactor at NIST

The conceptual research reactor design with a split core for a replacement reactor project at the NIST (National Institute of Standards and Technology) Center for Neutron Research is underway. The reactor core is cooled and moderated by light water and reflected by heavy water in a reflector tank. The reactor core is immersed in light water, which is isolated from heavy water with a slightly pressurized boundary box made of zirconium alloy. The heavy water is contained in a large size cylindrical tank which also provides ample space to accommodate neutron beam tubes, cold sources and other irradiation equipment. The reflector tank is placed in the center of a large light water pool, which provides thermal and biological shielding to the reactor. Light water and heavy water have distinct physical properties in regard to neutron moderation. Light water is generally known to have greater moderating power and absorption cross-sections, while heavy water has a higher moderating ratio. Due to these differences in properties, the accidental mixing of light water and heavy water in either direction will inevitably affect the reactivity of the reactor. Moreover, since the neutron flux spectrum at different locations of the reactor will have significantly different characteristics (for example, the spectrum at the heavy tank should be much softer than that at the core center region), the effect of reactivity changes becomes complicated and will depend on the water mixing locations. From the reactor safety analysis perspective, the water ingress reactivity change is one of the required design base reactivity accidents that must be evaluated in the final safety analysis report. Given these concerns, neutronics calculations have been performed to determine the effect and trend of the reactivity changes due to water ingress in different scenarios by purposely mixing the waters at three representative places in the reactor: the reflector area, the center coolant area and the peripheral coolant area. These three places were selected for the study because of their uniqueness in the flux spectrum (as shown in the results section). Simple static neutronics calculations were performed using MCNP6 to examine the reactivity effects due to water ingress. It should be noted that all calculations performed in this study assume homogeneous water mixing in the area of interest; therefore, the local effect of the mixing situation would possibly be missed by this study. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2017

Optical Design and Validation of an Infrared Transmissive Spectrum Splitting Concentrator Photovoltaic Module

A new modular, hybrid solar power system is designed to generate both electrical and thermal energy by utilizing the full solar spectrum. The key element, an infrared-transparent concentrator photovoltaic (CPV) module, acts as a spectrum splitter, dividing solar radiation into two parts. The ultraviolet and visible light (“in-band”) are converted to electricity with high efficiency in CPV cells, while the infrared light (“out-of-band”) is transmitted directly to a thermal receiver, where thermal power may be converted to electricity by a suitable heat engine or used directly for industrial process heat applications whenever needed. Here, we describe the optical design, modeling, fabrication, and performance validation of this novel spectrum splitting CPV module. A transfer matrix style approach, cumulative transmission model, is built to study the reflection, absorption, and transmission in each layer of the CPV module. To optimize the optical performance, different materials for module superstrate/substrate, encapsulant, cell substrate, and cooling fluids are compared in order to enhance the transmission of out-of-band light through the CPV module by minimizing absorption. Six antireflection coatings along with front and backside electrical contact grids are designed to maximize transmittance of in-band light to the cell and out-of-band light to the thermal receiver. Here, the final design, currently being prototyped, predicts out-of-band light transmission to the thermal receiver of 74.1% (for the passively cooled version) and 65.3% (for the actively cooled version). When epitaxial liftoff technology is applied, the transmission will change to 80.8% (passively cooled) and 71.9% (actively cooled). Experimental prototypes show good agreement with modeled optical performance.

14 SOLAR ENERGY↗

DOE OSTI2012

Structural characterization of the CeO{sub 2}/Gd{sub 2}O{sub 3} mixed system by synchrotron X-ray diffraction

The structural determination of the CeO{sub 2}/Gd{sub 2}O{sub 3} mixed system is a non-trivial problem because of the close resemblance between the ionic sizes of Ce{sup 4+} and Gd{sup 3+} and between the crystal structures of CeO{sub 2} and Gd{sub 2}O{sub 3}. (Ce{sub 1-x}Gd{sub x})O{sub 2-x/2} powder samples with x ranging between 0 and 1 have been synthesized by coprecipitation of mixed oxalates and subsequent thermal decomposition in air at 1200 Degree-Sign C followed by slow cooling. Synchrotron powder X-ray diffraction data were collected and refined by the Rietveld method. Lattice parameters do not follow Vegard's law and no peak splitting has been observed for any composition, meaning that no biphasic regions exist over the whole compositional range. The same hybrid structural model - a proper mixture of the structures of the two pure oxides - was used for the refinements, allowing to account for the data observed. - graphical abstract: Substituting Ce{sup 4+} by Gd{sup 3+}, a gradual transition from the F structure (typical of CeO{sub 2}) to the C structure (typical of Gd{sub 2}O{sub 3}) takes place. The lattice parameters do not follow Vegard's law. Highlights: Black-Right-Pointing-Pointer A structural study of Ce-Gd mixed oxides has been performed. Black-Right-Pointing-Pointer In (Ce{sub 1-x}Gd{sub x})O{sub 2-x/2} a solid solution forms for 0{<=}x{<=}0.3. Black-Right-Pointing-Pointer For x>0.3 a gradual transition from the C to the F structure is observed. Black-Right-Pointing-Pointer Lattice parameters do not follow Vegard's law.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

Laser induced rovibrational cooling of the linear polyatomic ion C{sub 2}H{sub 2}{sup +}

The laser-induced blackbody-assisted rotational cooling of a linear polyatomic ion, C{sub 2}H{sub 2}{sup +}, in its {sup 2}Π ground electronic state in the presence of the blackbody radiation field at 300 K and 77 K is investigated theoretically using a rate-equations model. Although pure rotational transitions are forbidden in this non-polar species, the ν{sub 5} cis-bending mode is infrared active and the (1-0) band of this mode strongly overlaps the 300 K blackbody spectrum. Hence the lifetimes of state-selected rotational levels are found to be short compared to the typical timescale of ion trapping experiments. The ν{sub 5} (1-0) transition is split by the Renner-Teller coupling of vibrational and electronic angular momentum, and by the spin-orbit coupling, into six principal components and these effects are included in the calculations. In this paper, a rotational-cooling scheme is proposed that involves simultaneous pumping of a set of closely spaced Q-branch transitions on the {sup 2}Δ{sub 5/2} − {sup 2}Π{sub 3/2} band together with two Q-branch lines in the {sup 2}Σ{sup +} − {sup 2}Π{sub 1/2} band. It is shown that this should lead to >70% of total population in the lowest rotational level at 300 K and over 99% at 77 K. In principle, the multiple Q-branch lines could be pumped with just two broad-band (∼Δν = 0.4–3 cm{sup −1}) infrared lasers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

High-resolution neutron diffraction determination of noncollinear antiferromagnetic order in the honeycomb magnetoelectric Fe 4 ⁢Nb 2⁢ O 9

Magnetoelectric systems offer potential for device applications exploiting coupled states between electric and magnetic properties. Among magnetoelectric materials, Fe 4 ⁢Nb 2 ⁢O 9 has attracted special attention because of its pronounced dielectric signal at high magnetic transition temperatures. However, the magnetic ground state, which is essential information for understanding its unusual magnetoelectricity, remains unclarified. Here, we report a noncollinear magnetic ground state of Fe 4 ⁢Nb 2 ⁢O 9 . To examine the magnetoelectric effect associated with sequential magnetic and structural transitions upon cooling, we conducted combined x-ray diffraction, magnetic susceptibility, magnetization, dielectric constant, and magnetodielectric experiments. Powder neutron diffraction experiments revealed a series of magnetic Bragg peaks and clear splitting of peaks via structural transition. Magnetic Rietveld refinements, combined with group theory analysis, determined a noncollinear antiferromagnetic structure including a significant 𝑐-axis moment component at 1.5 K. This article provides insights into the understanding of its magnetoelectric properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Importance of dynamic lattice effects for crystal field excitations in the quantum spin ice candidate Pr 2 Zr 2 O 7

We explore dynamic interactions between the crystal lattice and magnetic degrees of freedom in a frustrated magnetic system using the example of a pyrochlore quantum spin-ice candidate Pr 2 Zr 2 O 7 . Using Raman scattering spectroscopy we demonstrate that crystal electric field excitations of Pr3+, which define the magnetic properties of Pr 2 Zr 2 O 7 , cannot be understood within a model of a static lattice. We identify vibronic interactions with a phonon which lead to a splitting of a doublet crystal field excitation at around 55 meV. We also observe an unconventional behavior of a splitting of the non-Kramers ground state doublet of Pr 3+ , revealed by observing excitations to the first excited singlet state $E$$^{0}_{g}$ → A 1 g at around 10 meV. The splitting has a strong temperature dependence, where the doublet structure is most prominent between 50 and 100 K, and the weight of one of the components strongly decreases on cooling contrary to simple thermal population tendency. Furthermore, we suggest a static or dynamic deviation of Pr 3+ from the position in the ideal crystal structure can be the origin of the effect, with the deviation strongly decreasing at low temperatures.

36 MATERIALS SCIENCE↗

DOE OSTI2011

Prospects for rapid deceleration of small molecules by optical bichromatic forces

We examine the prospects for utilizing the optical bichromatic force (BCF) to greatly enhance laser deceleration and cooling for near-cycling transitions in small molecules. We discuss the expected behavior of the BCF in near-cycling transitions with internal degeneracies, then consider the specific example of decelerating a beam of calcium monofluoride molecules. We have selected CaF as a prototype molecule both because it has an easily accessible near-cycling transition and because it is well suited to studies of ultracold molecular physics and chemistry. We also report experimental verification of one of the key requirements, the production of large bichromatic forces in a multilevel system with significant energy level splittings, by performing tests in an atomic beam of metastable helium.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2020

High-Resolution Photoelectron Imaging and Photodetachment Spectroscopy of Cryogenically Cooled IO –

We report a high-resolution photoelectron imaging and photodetachment spectroscopy study of cryogenically-cooled IO - . The high-resolution photoelectron spectra yield a more accurate electron affinity (EA) of 2.3805(5) eV for IO, as well as a more accurate spin-orbit splitting energy between the 2 Π 3/2 and 2 Π 1/2 states of IO as 2093(5) cm -1 . Photodetachment spectroscopy confirmed several excited states for the IO - anion predicted by theoretical calculations, including two valence-type excited states, the repulsive 3 Π state and a shallow bound 1 Π state. More interestingly, we have observed two vibrational resonances which are proposed to be due to a dipole-induced resonant state, about 230 cm -1 above the detachment threshold of IO - .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2012

Strategy Guideline: HVAC Equipment Sizing

This guide describes the equipment selection of a split system air conditioner and furnace for an example house in Chicago, IL as well as a heat pump system for an example house in Orlando, Florida. The required heating and cooling load information for the two example houses was developed in the Department of Energy Building America Strategy Guideline: Accurate Heating and Cooling Load Calculations.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2012

Strategy Guideline: HVAC Equipment Sizing

This guide describes the equipment selection of a split system air conditioner and furnace for an example house in Chicago, IL as well as a heat pump system for an example house in Orlando, FL. The required heating and cooling load information for the two example houses was developed in the Department of Energy Building America Strategy Guideline: Accurate Heating and Cooling Load Calculations.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

Energy-Efficient Management of Mechanical Ventilation and Relative Humidity in Hot-Humid Climates

In hot and humid climates, it is challenging to energy-efficiently maintain indoor RH at acceptable levels while simultaneously providing required ventilation, particularly in high performance low cooling load homes. The fundamental problem with solely relying on fixed capacity central cooling systems to manage moisture during low sensible load periods is that they are oversized for cooler periods of the year despite being 'properly sized' for a very hot design cooling day. The primary goals of this project were to determine the impact of supplementing a central space conditioning system with 1) a supplemental dehumidifier and 2) a ductless mini-split on seasonal energy use and summer peak power use as well as the impact on thermal distribution and humidity control inside a completely furnished lab home that was continuously ventilated in accordance with ASHRAE 62.2-2013.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

Energy-Efficient Management of Mechanical Ventilation and Relative Humidity in Hot-Humid Climates

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2017

Building America Case Study: Energy Efficient Management of Mechanical Ventilation and Relative Humidity in Hot-Humid Climates, Cocoa, Florida

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2016

Characterization of elastic interactions in GaAs/Si composites by optically pumped nuclear magnetic resonance

Elastic interactions in GaAs/Si bilayer composite structures were studied by optically pumped nuclear magnetic resonance (OPNMR). The composites were fabricated by epoxy bonding of a single crystal of GaAs to a single crystal of Si at 373 K followed by selective chemical etching of the GaAs at room temperature to obtain a series of samples with GaAs thickness varying from 37 μm to 635 μm, while the Si support thickness remained fixed at 650 μm. Upon cooling to below 10 K, a biaxial tensile stress developed in the GaAs film due to differential thermal contraction. The strain perpendicular to the plane of the bilayer and localized near the surface of the GaAs was deduced from the quadrupolar splitting of the Gallium-71 OPNMR resonance. Strain relaxation by bowing of the composite was observed to an extent that depended on the relative thickness of the GaAs and Si layers. The variation of the strain with GaAs layer thickness was found to be in good agreement with a general analytical model for the elastic relationships in composite media.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

SPECTROSCOPIC VARIABILITY OF IRAS 22272+5435

A time series of high-resolution spectra was observed in the optical wavelength region for the bright proto-planetary nebula IRAS 22272+5435 (HD 235858), along with a simultaneous monitoring of its radial velocity and BV R{sub C} magnitudes. The object is known to vary in light, color, and velocity owing to pulsation with a period of 132 days. The light and color variations are accompanied by significant changes in spectral features, most of which are identified as lines of carbon-bearing molecules. According to the observations, the C{sub 2} Swan system and CN Red system lines are stronger near the light minimum. A photospheric spectrum of the central star was calculated using new self-consistent atmospheric models. The observed intensity variations in the C{sub 2} Swan system and CN Red system lines were found to be much larger than expected if due solely to the temperature variation in the atmosphere of the pulsating star. In addition, the molecular lines are blueshifted relative to the photospheric velocity. The site of formation of the strong molecular features appears to be a cool outflow triggered by the pulsation. The variability in atomic lines seems to be mostly due variations of the effective temperature during the pulsation cycle. The profiles of strong atomic lines are split, and some of them are variable in a timescale of a week or so, probably because of shock waves in the outer atmosphere.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2023

Materials Design Directions for Solar Thermochemical Water Splitting

The sustainable, economical production of molecular hydrogen is a crucial component of a net zero-greenhouse-gas-emissions future. Solar thermochemical water splitting (STWS) offers a renewable route to hydrogen with the potential to help decarbonize several industries, including transportation, manufacturing, mining, metals processing, and electricity generation, as well as provide sustainable hydrogen as a chemical feedstock. STWS uses high temperatures generated from concentrated sunlight or other sustainable means for high-temperature heat to produce hydrogen and oxygen from steam. For example, in its simplest form of a two-step thermochemical cycle, a redox-active metal oxide is heated to ≈1700-2000 K, driving off molecular oxygen while producing oxygen vacancies in the material. The reduced metal oxide then cools (ideally with the extracted heat recuperated for re-use) and, in a separate step, comes into contact with steam, which reacts with oxygen vacancies to produce molecular hydrogen while recovering the original state of the metal oxide. Despite its promising use of the entire solar spectrum to split water thermochemically, the current estimated cost of hydrogen produced via STWS is ≈4-6× the U.S. Department of Energy (DOE) Hydrogen Shot target value of $1/kg. One contributing approach to bridging this cost gap is the design of new materials with improved thermodynamic properties to enable higher efficiencies. The state-of-the-art (SOA) redox-active metal oxide for STWS is ceria (CeO 2 ), due to its close to optimal, although too high, oxygen vacancy formation enthalpy and large configurational and electronic entropy of reduction. However, ceria requires high operating temperatures and its efficiency is insufficient. Therefore, efforts to increase the efficiency of STWS cycles have focused on further optimizing oxygen vacancy formation enthalpies and augmenting the reduction entropy via substitution or doping and materials discovery schemes. Examples of the latter include the perovskites BaCe 0.25 Mn 0.75 O 3 and (Ca,Ce)(Ti,Mn)O 3 . These efforts and others have revealed intuitive chemical principles for the efficient and systematic design of more effective materials, such as the strong correlation between the enthalpies of crystal bond dissociation and solid-state cation reduction with the enthalpy of oxygen vacancy formation, as well as configurational entropy augmentation via the coexistence of two or more redox-active cation sublattices. The purpose of this chapter is to prepare the reader with an up-to-date account of STWS redox-active materials, both the SOA and promising newcomers, as well as to provide chemically intuitive strategies for improving their cycle efficiencies through materials design – in conjunction with ongoing efforts in reactor engineering and gas separations – to reach the cost points for commercial viability. First, we will introduce the thermodynamics of STWS using a two-step, metal-oxide, thermochemical cycle with economics in mind. We also will compare the pros and cons of processes that do or do not involve phase changes. Second, we will describe the qualities that make ceria the SOA STWS redox-active material, as well as its limitations. Third, we will survey some of the most promising candidates to date in the search for materials to supplant ceria, emphasizing the post-ternary, metal-oxide-perovskite alloys. Lastly, we will enumerate and discuss the following materials design directions for STWS redox-active materials: crystal reduction potentials as a proxy for oxygen vacancy formation enthalpies, engineering the electronic and configurational entropy of reduction via f-shells and simultaneous redox, and vetting materials stability via temperature-dependent phase diagrams and melting-point prediction.

08 HYDROGEN↗