Search NASA⌕ Search

SEARCH · Search NASA

Results for “novel”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Disorder, interactions, and their interplay in novel narrow-gap Dirac materials and Weyl semimetals

Progress of the modern day condensed matter physics is to a large extent driven by the synthesis of new materials, advances in their experimental characterization and theoretical description. Recent discoveries of novel gapless Weyl semimetals, such as NaBi,CdAs, and BiTe-based films, in which magnetic dopants essentially suppress the gap, have added to the family of graphene and topological insulators actively investigated over the past decade. With the field of novel semimetals rapidly maturing, its focus necessarily shifts from demonstrations of the feasibility of such materials to their quantitative characterization. While the transport and optical properties of graphene and topological insulators are well captured within the picture of free non-interacting electrons, gapless 3D Weyl semimetals and narrow-gap 2D semiconductors with Dirac spectrum are known to be extremely susceptible to disorder and electron-electron interactions. This susceptibility obscures the manifestations of nontrivial band structure -- like quantum anomalous Hall effect -- of the new topological materials. Among particular projects to be addressed are: 1) optical conductivity of 3D gapless Dirac fermions in the presence of smooth disorder, 2) interplay of disorder and Coulomb interactions in the spectral properties of such fermions, 3) formation and structure of the impurity band with Coulomb supercritical clusters, 4) Coulomb interaction-driven renormalization of the electron spectrum and of the transport response in the presence of strong magnetic field, 5) instanton approach to the disorder-induced fluctuation states in zero-gap 3D materials, and 6) the role of disorder in quantum anomalous Hall effect. The proposal relies upon the investigators' previous broad expertise in interacting and disordered electron systems. The methods to be employed include perturbative diagrammatic technique, non-perturbative instanton and self-consistent approximations, hydrodynamics of electron liquid. Both analytical as well as numerical approaches are to be employed. The anticipated broader outcome of the proposal includes gaining an in-depth understanding of the interplay of the disorder and interactions under the conditions when this interplay has the most dramatic impact on observables. Traditionally, interaction effects are among the most challenging and interesting problems of condensed matter physics. Similarly, disordered systems typically present very difficult but extremely rich problems in the description of various materials. Importantly, understanding the spectral and transport properties of such materials not only presents the fundamental objective, but is also of particular interest for many applications, such as computation, memory, optics, plasmonics. In particular realization of the quantum anomalous Hall effect may lead to the development of low-power-consumption electronics. Indeed, a major constraint for practical use of the quantum Hall effect is limited by the requirement of the quantizing magnetic field. At the same time, the quantum anomalous Hall effect samples exhibit non-dissipative edge quantum transport in a zero magnetic field.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Novel and effective surface passivation for high efficiency n- and p-type Silicon solar cell

The project objective was to develop a novel Si surface passivation method using chalcogens, sulfur (S) and/or selenium (Se), as passivating elements, to withstand industry-standard high temperature contacting and metallization schemes for p-type Si based passivated emitter and rear contact (p-PERC) solar cells. The back surface passivation of PERC cells has been improved drastically with the invention and successful application of an Al 2 O 3 passivation layer. However, the front n + diffused junction surface is still poorly passivated by the standard amorphous silicon nitride (SiNx) anti-reflection coating (ARC) layer. This project sought to address the passivation challenges of both front n+ emitter and undiffused p-Si back surface. Improved p-PERC solar cell performance with open circuit voltage (V OC ) > 680 mV and efficiency of 22% were targeted to validate superior defect passivation properties as compared to standard SiO 2 / Al 2 O 3 passivation. During this project, we systematically investigated process-structure-properties-performance relationships of this novel advanced defect passivation approach. The S/Se passivation was carried out by reacting industrial Czochralski (Cz) Si wafers in H 2 S and H 2 Se gases in a chemical vapor deposition (CVD) reactor at temperatures up to 700°C. After an exhaustive optimization of the process parameters (temperature, time, and gas concentration), we established an optimized process and demonstrated extremely low surface recombination velocities (SRVs) of 1.5 cm/s and 8 cm/s on n-type and p-type Si, respectively, by S-passivation. In-depth surface and interface characterization were performed using soft x-ray and photoelectron spectroscopies (XPS, UPS, XES), combined with capacitance-voltage-frequency (C-V-f) measurements, to decipher the surface chemical/electronic structure and interface defect state densities. These measurements provided critical understanding of the defect passivation mechanism and elucidated the presence of surface S-Si bonds, a reduction of surface dipoles, and low interface state densities (D it ) < 10 11 cm -2 ev -1 . We also found that the Se-passivation is inferior to the S-passivation (by at least one order of magnitude in SRV). Application of the optimized S-passivation to the n+ diffused emitter surface led to a low surface recombination current density, J0 ≈ 40 fA/cm 2 (~ 1/4 of the industry-standard SiNx-passivation), and high implied V OC (686 mV) in p-PERC solar cell structures. The S-passivation process also was found to improve the bulk quality of the p-type Si, better than the SiO 2 or Al 2 O 3 passivation processes. After successful demonstration of efficient passivation of Si surface defects by S, we extensively studied the air, thermal, and illumination stability of the passivation structure. S-passivation itself degrades in air due to competing reactions with moisture and oxygen to form oxides, which can be eliminated by a SiNx capping layer (also acting as a anti-reflective coating). After SiNx process optimization, we demonstrated illumination and thermally stable S-passivation with SRV < 5 cm/s and J 0 < 80 fA/cm 2 . These enhancements in Si passivation, incorporated into p-PERC cells, achieved an efficiency of 19.93% with V OC = 649 mV, using manufacturing metallization and contacting schemes. The low cell performance (cell V OC is much less than the implied V OC = 686 mV, anticipated from surface passivation) was identified due to degradation of S-passivation during the metal firing step (out-diffusion of S from the Si interface to the SiNx surface). The S-passivation of Si surfaces shows significant promise with excellent passivation quality, essential for high performance (high V OC , high efficiency) solar cells. Integration of this innovative defect passivation into devices, however, demands further development of the capping layer, low temperature (<700°C) metallization process, and/or engineering of advanced device structures. Surface passivation-dominated advanced Si solar cells, such as tunnel oxide passivated contacts and Si heterojunctions, are increasingly of interest due to their high-performance potential and will have a growing photovoltaic market share in the near future.

14 SOLAR ENERGY↗
DOE OSTI2022

INITIAL EXPLORATION OF A NOVEL TRANSIENT ARREST SYSTEM INVOLVING FUEL HEATING

A preliminary analysis on a novel accident response system to diminish the severity of supercritical transients was conducted. The novel accident response system, called the instant shock arrest system, involves using electricity to heat the nuclear fuel at the onset of a large accidental reactivity insertion. This system is specifically designed for reactors with metallic fuel, such that the fuel is capable of conducting electricity, and being resistively heated. A reactor dynamics model of the advanced test reactor was created using the point kinetics equations and a linear reactivity feedback model to simulate how the system would effect the maximum fuel temperatures experienced during the transient. Transients with the instant shock arrest system were compare to those without it. It was found that the instant shock arrest system initially heated the fuel more than the unaffected transient but the negative reactivity inserted from such heating was enough to lower the maximum fuel temperature experienced during the transient. After simulating six different accident scenarios with reactivity insertions ranging from 0.5 \$ to 1.3 \$, it was found that the an optimal system response could reduce peak fuel temperatures during the transient by 3.5\% to 5\%. Furthermore, discussion was given on how the optimal system response could be obtained using relatively simple numerical optimization algorithms due to the smoothness of the optimization problem.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Novel Approaches to the Isolation of Glucaric Acid from Fermentation Broth. Final report

Kalion has successfully demonstrated a fermentation route using glucose as the feedstock. This game-changing technology allows Kalion to economically produce large-scale quantities of high-purity glucaric acid products. Kalion has also developed a novel downstream processing strategy for isolating and purifying glucaric acid forms, including the free acid, monoammonium glucarate, and monopotassium glucarate. Despite the low solubility of these products, significant water removal is needed prior to crystallization, requiring energy intensive evaporation or reverse osmosis. Here, we work in collaboration with the Separations Consortium to develop novel, low-cost means of water removal in Kalion’s glucarate/glucaric acid purification process. This proposed CRADA project with national labs (ORNL, ANL, and NREL) evaluated various technologies developed by the Separations Consortium as applied to glucaric acid purification, intended to generate a scalable, cost-effective, energy-efficient process. Four approaches were evaluated with mock aqueous solutions of glucaric acid or glucarate, and the results analyzed with respect to separation effectiveness and potential cost savings. The leading technology will then be further developed and tested with actual clarified or non-clarified broth (depending on the approach) obtained from 20L fermentations provided by Kalion, that will contain inorganic ions, byproducts, and residual sugars in addition to the product.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

AOI-2, A Novel Access Control Blockchain Paradigm for Cybersecure Sensor Infrastructure in Fossil Power Generation Systems

Fossil power generation systems are increasingly vulnerable to attack from both cybercriminals as well as internal threats. These vulnerabilities demand that emerging technologies such as blockchains be utilized to secure the data involved in the information flows within the Supervisory Control and Data Acquisition (SCADA) systems of the fossil power generation plants. The publicly accessible blockchain protocols, although secure, are visible to everyone. Even private blockchains currently are unable to support different levels of access to different participants, which is a critical requirement for the existing SCADA systems running the power plants. In light of the above, novel blockchain protocols that are specifically adapted to fossil power generation environments need to be developed in order to achieve the goal of cybersecure sensor networks. In this work, we address this question by creating a novel blockchain technology, namely smart private ledger, for cybersecure communication within the fossil power generation systems. A lab-scale sensor network consisting of strain and temperature sensors is constructed to develop the ledger. The technology has hierarchical access control which is compatible with the existing SCADA systems in fossil power plants. The sensor data is used with cryptographic digital signatures and secret sharing protocols within the nodes of the blockchain technology. The research results will lead to cybersecurity for machine-to-machine interactions, infrastructure for secure data logging for sensors, decentralized data storage, and second-layer technologies for high volume machine-to-machine interactions in the power plants. The work aims to largely address the concerns for the security of distributed sensor networks in such systems that can be compromised by insider threats and by cybercriminals. The research has led to the training of the next generation of engineers and scientists in the important areas of sensor engineering and blockchain technology.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2022

Co-Free Cathode Materials and Their Novel Architectures

To enable cobalt-free LiNi 0.5 Mn 1.5 O 4 (LNMO) electrode and novel electrolyte formulation for use in next-generation Li-ion batteries (LIB) capable of high energy density, long cycle life and low cost, several methods were developed throughout this project. To enhance the performance of LNMO, Fe-doping on LNMO, laser treatment and atomic layer deposition (ALD) were adopted. Moreover, dry electrode method has successfully helped to fabricate ultra-high loading LNMO with stable performance. The improvement at anode side includes ALD-coating as well as pre-lithiation of graphite anode. In the novel electrolyte development, it was found that all-fluorinated electrolyte with appropriate additives can effectively extend both cycle and calendar life of LNMO full cells at practical loadings. Additional diagnosis of LNMO full cells showed that different types of carbon and porosity of separator play a critical role in the success of LNMO’s high voltage operation. The combined effort throughout the project pushed forward the understanding and commercialization of LNMO at practical level.

25 ENERGY STORAGE↗
DOE OSTI2021

A Novel Hollow Fiber Membrane Reactor for High Purity H 2 Generation from Thermal Catalytic NH 3 Decomposition (Final Report)

Ammonia (NH 3 ), as a promising carbon neutral liquid fuel (CNLF) and an effective H 2 source, can be synthesized from air and water (N 2 extracted from air and H 2 from water) using renewable energy sources. To produce H 2 as an intermediate, it is essential to develop effective and economic NH 3 decomposition technologies. We have been developing an innovative hollow fiber membrane reactor for high purity H 2 generation from thermal catalytic NH 3 decomposition. The objective of the proposed research is to fabricate a compact and robust prototype with high energy efficiency (>80%) to deliver high purity (>99%) H2 at high rate per volume (>0.15 g H 2 /h/cm 3 ) from NH3 decomposition at low temperature (<450 °C) and high conversion (>99%). Our overall technical approach is to effectively combine an active catalyst for NH 3 decomposition with a selective H 2 membrane separation process in a novel, compact modular system to generate high purity H 2 and simultaneously achieve high NH 3 conversion and optimize the entire system energy efficiency. This novel integrated membrane reactor design, together with low-cost, highly active Ru-based catalyst, makes it most appropriate for the project objective. The proposed applied research and development work, therefore, represents an innovative and transformational solution to H 2 generation from thermal catalytic NH 3 decomposition. During the course of our research we i) synthesized and characterized ruthenium(Ru)-based catalysts, evaluated their catalytic performance for NH 3 decomposition and optimized the catalyst composition and performance based on machine learning, ii) prepared SAPO-34, MFI membranes on α-alumina hollow fibers and measured their performance for H 2 /N 2 , H 2 /N 2 /NH 3 separation and evaluated carbon molecular sieve (CMS) and Pd/Ag membranes for H 2 /N 2 , H 2 /N 2 /NH 3 separation at different conditions, iii) designed and evaluated several types of membrane reactors for H 2 production from NH 3 decomposition, and iv) evaluated the H 2 delivery cost base on catalysts development, membrane development and membrane reactor. For 3,1,12 RuYK catalyst, H 2 productivity of 6.35 mmol/min/gcat with NH 3 conversion of 95~98% was achieved at 5 bar and 400 °C; for SAPO-34 membrane, the best membrane showed H 2 permeance of 7.56×10 -7 mol/(m 2 ∙s∙Pa) and H 2 /N 2 selectivity of 23.1 at 20 °C; For CMS and Pd/Ag membranes, both showed superior stability for 71%H 2 /24%N 2 /5%NH 3 mixture separation at 450 °C and 7 bar for over 120 h; for the membrane reactor, high H 2 purity of >99.99% with NH 3 conversion of >99.4% were achieved in Pd/Ag membrane reactor at 450 °C, and the NH 3 concentration was always below 10 ppb in H 2 product. The H 2 generation rate was calculated to be as high as 0.47 g/h/cm 3 and the energy efficiency was calculated to be 88%. The membrane reactor showed superior stability for over 370 h and high H 2 purity, H 2 production rate and NH 3 conversion. Based on calculation, the H 2 delivery cost can be as low as $3.66/kg.

08 HYDROGEN↗
DOE OSTI2021

The development of novel organomanganese hydration catalysts and uranium oxo-imido complexes to provide insights into redox chemistry and bonding properties

This project is focused on the development of novel Mn complexes that will be useful as hydrolysis catalysts for substrates such as nitriles, esters, and amides. This Mn chemistry will provide a useful platform to develop the capabilities that are necessary to synthesize and manipulate air and moisture sensitive compounds while simultaneously exploring the novel chemistry associated a new class of low-valent metal hydroxide complexes. The primary research objective of the proposed Mn chemistry the synthesis of well-defined Mn hydroxide complexes that will use the nucleophilicity of the hydroxide ligand in an anhydrous environment as a catalyst for desirable organic transformations. Several metal-ligand combinations are explored and have been extended to nickel, ruthenium and iron.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Novel Transformational Membranes and Process for CO 2 Capture from Flue Gas (FE0031731)

The objectives of this project are to develop a cost-effective design and fabrication process for a novel transformational membrane and its membrane modules that capture CO 2 from flue gas. Optimization of the novel transformational membrane, scale-up of the membrane to a prototype size of about 20" wide in continuous roll-to-roll fabrication, and construction and testing of a skid for the integrated membrane process will be performed. For the design of this membrane, we use a cost-effective polymer support and coat a thin top layer of the membrane. The simplicity of this membrane design offers a low cost for the membrane element in commercial spiral-wound (SW) configuration (<$2.00/ft 2 or $21.5/m 2 ). The prototype membrane will be used to fabricate 6 pilot-size membrane modules (each about 20" length, 3 modules each at the commercial-size diameter of 8 inches with 35 m 2 membrane area for Stage 1 and 3 modules each at 5-inch diameter with 12 m 2 membrane area for Stage 2) for testing with simulated flue gas at OSU and with actual flue gas at the National Carbon Capture Center, Wilsonville, AL using the skid to capture the CO 2 (at 60 – 90%) with at least 95% CO 2 purity. The prototype membrane modules will be in commercial SW configuration with a minimal pressure drop (<0.103 bar/meter (1.5 psi/meter)). These objectives have been achieved successfully.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2023

Exploration of a Novel Technique for Waste Heat Recovery Through Molecular Dynamics: Influence of Wettability and Electric Field on Water and Water-Based Nanofluids

Most of the energy produced globally comes by way of a heat engine. The Carnot principle places a limit as to how thermodynamically efficient a heat engine can be. There is no heat engine that can be 100% thermodynamically efficient and as such a substantial proportion of all heat supplied to a heat engine is lost as waste heat. Waste heat therefore is a large energy source ready to be properly utilized. Herein, a novel approach for converting waste heat to electricity is discussed. It involves the use of the liquid to vapor phase change of a material dielectric (water) or electrolyte (nanofluid) in the embodiment of a capacitor for direct thermal to electrostatic energy conversion. While this method of waste heat recovery could potentially be added to the ever expanding portfolio of energy conversion techniques, a number of aspects must be addressed before it can be brought into practice. Water was seen as an ideal dielectric phase change material given its high relative permittivity ratio when in the liquid form as compared to its vapor form. However, given its short voltage holdoff time the phase change of water would need to occur rapidly. This brings up concerns of explosive boiling. Herein, molecular dynamics analysis into the explosive boiling behavior of thin water films gave more insight into how the interaction between the surface and liquid affected explosive boiling onset time. A Lennard-Jones potential with one interaction site and a Morse potential with three interaction sites between water and solid substrate were used. It was found generally that a stronger interaction between water film and substrate led to faster explosive boiling onset times but an increase in the number of interaction sites delayed explosive boiling, even at the same wettability (contact angle). Understanding changes in the density and enthalpy of vaporization of a liquid dielectric such as water in the presence of an electric field is of importance due to the electrostatic nature of the waste heat conversion method under consideration. Specifically, if both density and enthalpy of vaporization are increased, the thermodynamic efficiency of the waste heat conversion method under consideration is decreased. Electric field effects are explored herein via molecular dynamics using two water models, the TIP4P-Ew and SWM4-NDP. The SWM4-NDP model is polarizable while the TIP4P-Ew model is not, which allows for a determination of the importance of model polarizability (i.e. variation in water model dipole moment) on these two properties of water when subjected to an electric field. Herein it was found that both water models respond similarly in terms of density and vaporization enthalpy variance upon the introduction of an electric field. Comparison was also made to the pressure induced by the electric field (electrostriction pressure) by way of a density comparison and it was found that the predicted electrostriction pressure overestimates the pressure experienced by water. Water by itself has a high enthalpy of vaporization, which limits the efficiency of the newly proposed conversion method. Research both experimental and through simulation has shown that the vaporization enthalpy of nanofluids can be engineered via nanoparticle size and material selection. An avenue less explored is manipulating the enthalpy of vaporization by altering the interaction strength between the nanoparticles and the base fluid. In practice this could be achieved through the addition of coatings to the nanoparticles to alter their wettability to the base fluid. This was explored by using a Lennard-Jones potential and Morse potential to model the interaction between base fluid (water) and the nanoparticle. For nanoparticles 2nm in diameter and at weight percentages up to 6%, the change in vaporization enthalpy due to alterations of the interaction strength between nanoparticle and base fluid was not significant (less than a 1% difference) when compared to the effect of altering the weight percentage of nanoparticles in the nanofluid or introducing an electric field. However, the effect of wettability may still become important at other nanoparticle concentrations and sizes. In all, the studies presented here further the understanding of phase change and thermodynamic properties of water and water based nanofluids under an electrostatic field which will help inform the development of a novel approach to waste heat conversion. The reduction of waste heat will improve energy sustainability outlooks.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2024

Synthesis of Novel Hybrid Nanostructures Employing Advanced Structural Characterization Techniques

This proposal was for carrying out research on creating novel hybrid nanostructures with novel and interesting functional properties with the help of advanced structural on adding 0.001, 0.01 and 0.02 mg of Au nanoparticles. From the reflectivity measurements, and the intensities of the various order diffraction peaks from the multilayers, we were able to reconstruct the electron density profiles of the films normal to their surfaces. characterization techniques. There were 3 components to the research: (1) seeing if new hybrid nanostructures could be synthesized from Au nanoparticles and lipid multilayers (2) making artificial cells from Galactopyranose-Derived Single-Chain Amphiphiles and sponge phases of lipid/amphiphile mixtures, and (3) characterizing the pair distribution function for complex nanoparticles of melanin to understand/predict the structural colors seen in aggregates of such nanoparticles.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Novel microbial based enzymatic CO2 fixation mechanisms: Conformational control of enzymatic reactivity

The broad, long-term goal of the research is to provide insight into the mechanism of novel carboxylation and electron bifurcation reactions as paradigms to study how enzyme utilized protein conformational change to protect reactive intermediates and/or control the pathway in a catalytic cycle. catalyzed by enzymes involved in bacterial alkene, ketone, and epoxide metabolism. We are examining two paradigms in which conformational change is a key mechanistic feature of 1) protecting reaction intermediates that are sensitive to breakdown in the presence of water and 2) directing electron flow in reactions that split electron pairs along two pathways in reactions that fine tune metabolic efficiency in microbial metabolism. Both paradigms are of key importance in defining the molecular determinants of reactions relevant to CO 2 capture and fuel upcycling. In the first paradigm the compounds acetone and bicarbonate are activated by the addition of phosphate creating reaction intermediates (phosphoenolacetone and carboxyphosphate) that are very sensitive to breakdown in the presence of water. We are studying the mechanism of how the enzyme protects these reactive intermediates from water by encapsulating them upon their formation within a hydrophobic protein channel leading to an enzyme active site approximately 40 Å away. In the second paradigm, we are examining how the direction of electron transfer reactions can be modulated through protein conformational change that alters either the difference driving force or distance or both between electron transfer pathways in enzymes that catalyze electron bifurcation. We are using a combination of enzyme kinetics, mass spectrometry, spectroscopy, and structural analysis through X-ray diffraction and scattering methods to characterize the mechanism of conformational changes along the catalytic path. Within the context of the mission of the Department of Energy and the core activities of the Energy Biosciences, the results obtained in the study will reveal new insights into the fundamentals of novel carboxylation / CO 2 capture chemical transformations and electron transfer reactions that equate to biological fuel upcycling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Novel quantum states of matter in moiré materials (2023 Aspen Winter Conference)

This report is to summarize the proceedings of the conference “Novel Quantum States of Matter in Moiré Materials,” which was held at the Aspen Center for Physics, March 12 – 17, 2023. The conference organizers thank the Department of Energy (DOE) for providing funding support for the conference. The advent of moiré quantum materials has opened a highly tunable platform for exploring the interplay between electronic structure, interactions, symmetry, and topology. Since the discovery of correlated insulator states and superconductivity in magic-angle twisted bilayer graphene (MATBG), a growing variety of moiré systems have emerged, revealing novel correlated and topological phenomena such as quantum anomalous Hall systems, generalized Wigner crystals, and fractional Chern insulators. This rich phenomenology continues to attract intense theoretical and experimental interest.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Novel Modular Residential CCHP for Space Conditioning and Water Heating

This presentation will first describe the design of a novel modular residential cold-climate heat pump for both space conditioning and water heating that can be coupled with thermal energy storage (TES) to maximize system efficiency and load flexibility. Among some of the novel operating modes of the proposed design include: 1) simultaneous outdoor coil defrost while still providing space heating or water heating; 2) simultaneous water heating and space cooling 3) using the TES as the heat source during cold climate operation to improve efficiency and 4) compressorless charging of the TES module during days with high temperature swings between night and day. Then, initial simulation results will be presented describing system performance in key operating modes in climate region 5.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2024

A Novel Dew Point Meter: Application to the Measurement of the Sulfuric Acid Dew Point for Combustion Flue Gas

Accurate knowledge of acid dew point is essential for industrial and applied combustion applications. Sulfur in the fuel or raw materials is converted to sulfur dioxide (SO2) during combustion, and a portion of the SO2 is oxidized to sulfur trioxide (SO3). The SO3 will react to form H2SO4 vapor when in the presence of water vapor. Even with just trace levels of H2SO4 vapor in the gas phase (1-10 ppm), the dew point can reach 100°C and higher. To avoid acid condensation and the resulting corrosion on heat recovery equipment, plant engineers must ensure that surface temperatures are above the acid dew point, but this decreases the efficiency of thermal energy recovery. Thus, there is a trade-off between minimizing equipment corrosion and maximizing thermal energy recovery, and the acid dew point is a key parameter for this optimization. Commercially available acid dew point meters use electric conductivity sensors. These sensors are known to greatly underestimate the dew point due to their low sensitivity. In addition, no validation testing has been reported for these units and they are often expensive. In this work, we analyze the theory of the sulfuric acid condensation and develop a novel dew point meter based on this analysis. The meter consists of a novel optical instrument that is designed to monitor the slightest appearance of condensation on a hydrophobic window surface as the surface temperature of the window is slowly decreased. In this way, an accurate measurement of the dew point is obtained under a wide range of concentrations. The basis of the instrument is that a collimated beam from a diode laser will generate forward scattered light when the beam encounters surface condensate, and a sophisticated array detector is used to sensitively monitor the onset of light scattering. The measurement procedures are established to rapidly find the acid dew point, while minimizing error. Further, to calibrate the dew point meter we developed a calibration system based on a liquid bubbler that can generate a stable gas flow with a known sulfuric acid dew point. Test results show that the dew point meter can accurately measure acid dew point over a wide range. For H2SO4 vapor concentrations as low as 6 ppm the acid dew point is measured with an error of only ~1°C. To demonstrate the versatility of this instrument, the dew point meter was adapted for use with a high-pressure flow cell to allow for measurements of the dew point of flue gas from pressurized oxy-fuel combustion in a 100 kWth pressurized reactor.

Cheng, Mao↗
DOE OSTI2023

A Novel Dew Point Meter: Application to the Measurement of the Sulfuric Acid Dew Point for Combustion Flue Gas

Accurate knowledge of acid dew point is essential for industrial and applied combustion. Sulfur in the fuel or raw materials is converted to sulfur dioxide (SO2) during combustion, and a portion of the SO2 is oxidized to sulfur trioxide (SO3). The SO3 will react to form H2SO4 vapor when in the presence of water vapor. Even with just trace levels of H2SO4 vapor in the gas phase (1-10 ppm), the dew point can reach 100°C and higher. To avoid acid condensation and the resulting corrosion on heat recovery equipment, plant engineers must ensure that surface temperatures are above the acid dew point, but this decreases the efficiency of the thermal energy recovery. Thus, there is a trade-off between minimizing equipment corrosion and maximizing thermal energy recovery efficiency, and the acid dew point is a key parameter for this optimization. In this work, we analyze and discuss the theory of the sulfuric acid condensation process and develop a novel dew point meter based on this analysis. The meter consists of a novel optical instrument that is designed to monitor the slightest appearance of condensation on a hydrophobic window surface, and the surface temperature of the window is slowly decreased until condensation is first observed, yielding an accurate measurement of the dew point. The basis of the instrument is that a collimated beam from a diode laser generates scattered light when encountering surface condensate, and a sophisticated array detector is used to sensitively monitor the light scattering. The measurement procedures are established to rapidly find the acid dew point, while minimizing error. Further, we propose a calibration system based on a liquid bubbler, which can generate a stable gas flow with known sulfuric acid dew point, to test the dew point meter. Test results show that the dew point meter can accurately measure the acid dew point over a wide range.

Cheng, Mao↗
DOE OSTI2026

Metamaterials as a Platform for the Development of Novel Materials for Energy Applications

To explore the fundamental properties of metamaterials (MMs) / metasurfaces and their potential for control of energy at the sub‐wavelength scale in support of the mission of the Department of Energy and the office of Basic Energy Sciences. Electromagnetic metamaterials provide a platform for the discovery and design of new materials with novel structures, functions, and properties. The PI proposes to advance the knowledge base of these materials through fundamental investigations of the experimental and theoretical properties of metamaterials for the discovery, prediction and design of new materials with novel structures, functions, and properties. The proposed research activities emphasize a complete basic research program including the conceptual / computational design, fabrication / synthesis of the materials, and the characterization and analysis of their electromagnetic properties. The proposed project explores the fundamental properties of metamaterials / metasurfaces and their potential for energy applications. There are three main topics which will be investigated: 1) Dispersion engineering with metamaterials and metasurfaces, 2) Epsilon near zero metamaterial absorbers and emitters, and 3) All dielectric metamaterials. The program implements a complete basic research program consisting of theory / design, modeling, characterization, and analysis, in order to fully characterize metamaterials and metasurfaces, while at the same time minimizing iterations necessary to achieve the proposal goals.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The synthesis of novel lanthanum hydroxyborate at extreme conditions

The novel structure of lanthanum hydroxyborate La 2 B 2 O 5 (OH) 2 was synthesized by the reaction of partially hydrolyzed lanthanum and boron oxide in a diamond anvil cell under high-pressure/high-temperature (HPHT) conditions of 30 GPa and ~2,400 K. The single-crystal X-ray structure determination of the lanthanum hydroxyborate revealed: P$\overline{3}$c1 , a = 6.555(2) Å, c = 17.485(8) Å, Z = 6, R 1 = 0.056. The three-dimensional structure consists of discrete planar BO 3 groups and three crystallographically different La ions: one is surrounded by 9, one by 10, and one by 12 oxygen anions. The band gap was estimated using ab initio calculations to be 4.64 eV at ambient pressure and 5.26 eV at 30 GPa. The current work describes the novel HPHT lanthanum hydroxyborate with potential application as a deep-ultraviolet birefringent material.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗