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At least 253 records · Page 14

Computational Modeling of CO2 Capture By Novel PIM-RU in a Fluidized Bed Riser

The interest in carbon capture, storage, and utilization (CCUS) has increased significantly in the past few decades as it can help mitigate the threat of global warming caused by substantial increase in CO2 emissions due to anthropogenic activities. Although several CO2 capture technologies have been developed, porous solid sorbents, which adsorb CO2 by physisorption, are considered promising candidates for post-combustion CO2 capture because of the easier recovery of adsorbed CO2 and high material stability. Some prominent types of porous solid sorbents are metal-organic frameworks (MOFs), Zeolite, mesoporous silica, and polymer-based sorbents (e.g., polymers with intrinsic microporosity or PIM). Oak Ridge National Laboratory (ORNL) recently developed a novel PIM-based sorbent, referred to here as PIM-RU. The main objective of this work is to investigate the CO2 capture performance of this sorbent using computational fluid dynamics (CFD). While process configuration and reactor design are open questions, a fluidized bed riser was selected as the contactor type for this study.

Aziz, Hossain↗

Extrapolation of the Rainflow-Counted Load Ranges for Fatigue Assessment of the Wind Turbine's Blades

Wind turbine design standards recommend the use of statistical modeling coupled with extrapolation of the short-term load data to long-term periods for fatigue reliability assessment. However, statistical error and computational expense can limit the accuracy of such approaches. In the case of wind turbine blades, the errors are more significant because of the high material fatigue exponent that makes the damage estimations more sensitive to variations. In addition, due to different excitation sources, the flapwise load range histogram is not unimodal, and thus its statistical modeling is complex. In the present work, we provide three methods for statistical modeling of the flapwise bending moment ranges including a novel approach based on frequency-based separation of the modes. The first two methods are simplified approaches for modeling the most crucial load ranges using unimodal distributions and the third method involves multimodal distribution fitting. The research is based on 3600 10-minute aeroelastic simulations of DTU 10MW case study wind turbine from which a benchmark damage equivalent load (DEL) is calculated. The DEL calculated by each of the three proposed methods is compared to this reference. The results show that the conventional approach based on using 6 seeds as well as using mixture models fitted on the limited data lead to under-conservative results with errors up to 23%. On the other hand, the simplified unimodal approaches provided in this work can provide conservative estimations of the fatigue damage with mean values 5% and 12% higher than the benchmark. However, the variability of the DEL estimates is higher when using unimodal extrapolation of the load ranges, and the data can be conservative by 17.5%. The proposed unimodal fits suggested for modeling and extrapolation of the blade's load ranges provide less errors relatively and most importantly conservative DEL estimations while maintaining computational efficiency.

blade fatigue↗

Annual Progress Report, 1966

Rarefied gas mechanics, plasma dynamics, blast wave phenomena, energy conversion, aerodynamic noise, subsonics, flight dynamics, materials, high altitude measurements, and molecular beams

PLASMA DYNAMICS↗

Flat-plate module efficiency versus cost tradeoffs

The Five Year Research Plan energy cost methodology and in depth analyses based on the extensive data that are relevant to PV systems are used to facilitate the accomplishment of the $0.15/kWh energy cost goal. An equation is given for the five year energy cost methodology. The allocation guidelines are designed to be consistent with flat solar array (FSA) milestones for module cost, module efficiency, and the programmatic goal for energy cost. They are research targets that appear to be achievable, given prior accomplishments and planned activities in the areas of low cost silicon purification, low cost sheet material, high efficiency cell processing, low cost, long life encapsulants, and automated fabrication method. Extensive sensitivity analysis work has been performed that shows that these guidelines represent an efficient way to meet the intent of the DOE program.

Aster, R. W.↗

Materials Compatibility in High Test Hydrogen Peroxide

Previous ratings of the compatibility of high test hydrogen peroxide (HTP) with materials are not adequate for current needs. The goal of this work was to develop a new scheme of evaluation of compatibility of HTP with various materials. Procedures were developed to enrich commercially available hydrogen peroxide to 90% concentration and to assay the product. Reactivity testing, accelerated aging of materials and calorimetry studies were done on HTP with representative metallic and non-metallic materials. It was found that accelerated aging followed by concentration determination using refractive index effectively discriminated between different Class 2 metallic materials. Preliminary experiments using Differential Scanning Calorimetry (DSC) suggest that a calorimetry experiment is the most sensitive means to assay the compatibility of HTP with materials.

Gostowski, Rudy↗

Reusable Surface Insulation Tile Thermal Protection Materials: Past, Present and the Future

Silica (LI-900) Reusable Surface Insulation (RSI) tile have been used on the majority of the Shuttle since its initial flight. Its overall performance with Reaction Cured Glass (RCG) coating applied will be reviewed. Improvements in insulations, Fibrous Refractory Composite Insulation (FRCI-12) and Alumina Enhanced Thermal Barrier (AETB-8) and coatings/surface treatments such as Toughened Uni-Piece Fibrous Insulation (TUFI) have been developed and successfully applied. The performance of these enhancements on the Shuttle Orbiters over the past few years along with the next version of tile materials, High Efficiency Tantalum-based Ceramic (HETC) with even broader applicability will also be discussed.

Leiser, Daniel B.↗

The nutritional adequacy of a limited vegan diet for a Controlled Ecological Life-Support System

Purdue University, as well as the Johnson and Kennedy Space Centers and NASA Ames Research Center, are investigating approximately 5-10 plants that will be grown hydroponically to provide not only the energy and nutrients, but also the oxygen for humans habitating in Mars and lunar bases. The growth and nutritional status of rats fed either a control diet (adequate in all macro- and micronutrients) or a strict vegetarian diet consisting of 5 (vegan-5) or 10 (vegan-10) candidate crop species were investigated. In addition, vegan-10 diets were supplemented with mineral and/or vitamin mix at a level similar to the control diets to assess the effect of supplementation on nutrient status. The assessment of inedible plant material as an alternative food source was also investigated. Results of this study demonstrated that consumption of the vegan-10 diet significantly improved weight gain of rats compared to that for rats fed the vegan-5 diet. Mineral supplementation, at a level present in the control diet, to the vegan-10 diet improved growth and nutrient status, but growth was significantly lower compared to the control-fed rats. Inclusion of inedible plant material, high in ash content, improved some indices of nutrient status, without improving growth.

NASA Discipline Number 93-10↗

Why Not Space Tethers?

The Tethered Satellite System Space Shuttle missions, TSS-1 in 1993 and TSS-1R in 1996, were the height of space tether technology development. Since NASA's investment of some $200M and two Shuttle missions in those two pioneering missions, there have been several smaller tether flight experiments, but interest in this promising technology has waned within NASA as well as the DOD agencies. This is curious in view of the unique capabilities of space tether systems and the fact that they have been flight validated and shown to perform as, or better than, expected in earth orbit. While it is true that the TSS-1, TSS-1R and SEDS-2 missions experienced technical difficulties, the causes of these early developmental problems are now known to be design or materials flaws that are (1) unrelated to the basic viability of space tether technology, and (2) they are readily corrected. The purpose of this paper is to review the dynamic and electrodynamic fundamentals of space tethers and the unique capabilities they afford (that are enabling to certain types of space missions); to elucidate the nature, cause, and solution of the early developmental problems; and to provide an update on progress made in development of the technology. Finally, it is shown that (1) all problems experienced during early development of the technology now have solutions; and (2) the technology has been matured by advances made in strength and robustness of tether materials, high voltage engineering in the space environment, tether health and status monitoring, and the elimination of the broken tether hazard. In view of this, it is inexplicable why this flight-validated technology has not been utilized in the past decade, considering the powerful and unique capabilities that space tethers can afford that are, not only required to carryout, otherwise, unobtainable missions, but can also greatly reduce the cost of certain on-going space operations.

Stone, Noble H.↗

Mid- and Long-IR Broadband Quantum Well Photodetector

A single-stack broadband quantum well infrared photodetector (QWIP) has been developed that consists of stacked layers of GaAs/AlGaAs quantum wells with absorption peaks centered at various wavelengths spanning across the 9- to-11- m spectral regions. The correct design of broadband QWIPs was a critical step in this task because the earlier implementation of broadband QWIPs suffered from a tuning of spectral response curve with an applied bias. Here, a new QWIP design has been developed to overcome the spectral tuning with voltage that results from non-uniformity and bias variation of the electrical field across the detector stacks with different absorption wavelengths. In this design, a special effort has been made to avoid non-uniformity and bias tuning by changing the doping levels in detector stacks to compensate for variation of dark current generation rate across the stacks with different absorption wavelengths. Single-pixel photodetectors were grown, fabricated, and tested using this new design. The measured dark current is comparable with the dark measured current for single-color QWIP detectors with similar cutoff wavelength, thus indicating high material quality as well as absence of performance degradation resulting from broadband design. The measured spectra clearly demonstrate that the developed detectors cover the desired special range of 8 to 12 m. Moreover, the shape of the spectral curves does not change with applied biases, thus overcoming the problem plaguing previous designs of broadband QWIPs.

Soibel, Alexander↗

Quantifying mass flows at Mt. Cleveland, Alaska between 2001 and 2020 using satellite photogrammetry

Measuring eruption volume provides constraints on the magma supply rate and plumbing systems and therefore is a critical component for monitoring volcanoes. We use ArcticDEM—a large collection of time-dependent digital elevation models (DEMs) derived from satellite stereo-photogrammetry — to construct a first-of-its-kind measurement of the volumes of recent mass flows at Mount Cleveland, Alaska. We quantify the volume of the products of the 2001 eruption (the largest in the past half-century) as (54.8 ± 0.5) × 10 -6 m -3 covering a total area of 5.09 km -2 . The total volume of material loss at the summit crater is (0.67 ± 0.02) × 10 -6 m -3 , which is likely caused by later explosions and collapses of the shallow magma chamber. The total eruptive volume between 2017 and 2020 is (0.086 ± 0.002) × 10 -6 m -3 . Elevation changes associated with lahars are variable. On the upper northern slopes of the volcano, the lahar channels were almost exclusively erosive, suggesting that lahars originating at the summit eroded and entrained loose materials high on the cone. In general, lahar deposits were thickest near their toes, with some reaching ~20 m thickness.

Chunli Dai↗

A comparison of plastic and visco-plastic constitutive models for accurate predictions in PM-HIP

Powder metallurgy hot isostatic pressing (PM-HIP) is an advanced manufacturing process that can efficiently produce near net shape parts with high material utilization and uniform microstructures. While the PM-HIP process is used frequently to produce small-scale components, its application to large-scale components is still limited due to inadequate understanding of its complex processes that cause unpredictable post-HIP shape distortions. A computational model can be a cost-effective alternative to exhaustive experimentation required to understand the PM-HIP process fully. Therefore, we present a comparison of plastic and visco-plastic models that are frequently used to model the PM-HIP process. We show that the predictions of powder densification behavior and shape distortions obtained from both the models are similar under most conditions and agree well with experimental observations.

Sarkar, Subrato [ORNL]↗

Application of High-Spatial Resolution LA-MC-ICP-MS in Planetary Materials

High-precision stable and radiogenic isotopic measurements of planetary materials can help elucidate processes taking place during early Solar System formation, as well as during subsequent planetary differentiation. Laser Ablation Multi Collector Inductively Coupled Plasma Mass Spectrometry (LA-MC-ICP-MS) adds the valuable ability of preserving the spatial context of these isotopic measurements, by sampling small sample volumes (~10 – 60 um diameter) using a pulsed laser system. In the Center for Isotope Cosmochemistry and Geochronology (CICG) at NASA Johnson Space Center, these in-situ isotopic measurements are primarily made using the Applied SpectraTM iX-fs-Tandem LA-LIBS Instrument coupled to the Nu InstrumentsTM SP1700 MC-ICP-MS. The instrumental set-up also provides simultaneous Laser Induced Breakdown Spectroscopy (LIBS) measurements and the potential use of a low energy path with a collision/reaction cell for additional interference removal, though we focus here on the typical high-energy LA-MC-ICP-MS operation. We will provide examples of stable (e.g., Mg) and radiogenic (e.g., Lu-Hf) isotopic systems measured in planetary materials and their terrestrial analogs. The measurement of mass dependent Mg isotopic variations is an important tool for reconstructing processes such as evaporation and condensation of solids in the solar nebula. For early Solar System samples, Mg isotope measurements are also important for the short-lived (t1/2 = 0.7 Ma) Al-Mg chronometer. During laser ablation analyses, the measurement of the Al-Mg isotopic system is made in medium mass resolution (RP ~9500 at ~20% transmission) to limit interferences from 48Ti2+ and 48Ca2+ on 24Mg+, in addition to 52Cr2+ and 12C14N+ on 26Mg+. Measured in the mineral zircon, the 176Lu-176Hf decay system is often used for understanding the growth of continents on Earth, and is also a vital aid in deciphering early large-scale planetary differentiation processes, such as the crystallization of the lunar magma ocean, which is thought to be responsible for much of the Moon’s crust. Lu-Hf measurements are made in low resolution mode (RP <2000), with 10 ion masses (from 171Yb to 180Hf) measured simultaneously to facilitate corrections for isobaric interferences from 176Yb and 176Lu on 176Hf.

Jacob B Setera↗

Radiation Damage Studies on Titanium Alloys as High Intensity Proton Accelerator Beam Window Materials

A high-strength dual a+ß phase titanium alloy Ti–6Al–4V is utilized as a material for beam windows in several accelerator target facilities. However, relatively little is known about how material properties of this alloy are affected by high-intensity proton beam irradiation. With plans to upgrade neutrino facilities at J-PARC and Fermilab to over 1 MW beam power, the radiation damage in the window material will reach a few displacements per atom (dpa) per year, significantly above the ~0.3 dpa level of existing data. The international RaDIATE collaboration, Radiation Damage In Accelerator Target Environments, has conducted a high intensity proton beam irradiation of various target and window material specimens at Brookhaven Linac Isotope Producer (BLIP) facility, including a variety of titanium alloys. Post-Irradiation Examination (PIE) of the specimens in the 1st capsule, irradiated at up to 0.25 dpa, is in progress. Tensile tests in a hot cell at Pacific Northwest National Laboratory (PNNL) exhibited a clear signature of radiation hardening and loss of ductility for Ti–6Al–4V, while Ti–3Al–2.5V, with less ß phase, exhibited less severe hardening. Microstructural investigations will follow to study the cause of the difference in tensile behavior between these alloys. High-cycle fatigue (HCF) performance is critical to the lifetime estimation of beam windows exposed to a periodic thermal stress from a pulsed proton beam. The first HCF data on irradiated titanium alloys are to be obtained by a conventional bend fatigue test at Fermilab and by an ultrasonic mesoscale fatigue test at Culham Laboratory. Specimens in the 2nd capsule, irradiated at up to ~1 dpa, cover typical titanium alloy grades, including possible radiation-resistant candidates. These systematic studies on the effects of radiation damage of titanium alloy materials are intended to enable us not only to predict realistic lifetimes of current beam windows made of Ti–6Al–4V, but also to extend the lifetime by choosing a more radiation and thermal shock tolerant alloy with a preferable heat treatment, or even by developing new materials.

Titanium Alloy, Beam Window, Proton Beam, Radiatio↗

Theoretical Studies of Possible Synthetic Routes for the High Energy Density Material Td N4: Excited Electronic States

Vertical electronic excitation energies for single states have been computed for the high energy density material (HEDM) Td N4 in order to assess possible synthetic routes that originate from excited electronic states of N2 molecules. Several ab initio theoretical approaches have been used, including complete active space self-consistent field (CASSCF), state averaged CASSCF (SA-CASSCF), singles configuration interaction (CIS), CIS with second-order and third-order correlation corrections [CIS(D)) and CIS(3)], and linear response singles and doubles coupled-cluster (LRCCSD), which is the highest level of theory employed. Standard double zeta polarized (DZP) and triple zeta double polarized (TZ2P) one-particle basis sets were used. The CASSCF calculations are found to overestimate the excitation energies, while the SA-CASSCF approach rectifies this error to some extent, but not completely. The accuracy of the CIS calculations varied depending on the particular state, while the CIS(D), CIS(3), and LRCCSD results are in generally good agreement. Based on the LRCCSD calculations, the lowest six excited singlet states are 9.35(l(sup)T1), 10.01(l(sup)T2), 10.04(1(sup)A2), 10.07(1(sup)E), 10.12(2(sup)T1), and 10.42(2(sup)T2) eV above the ground state, respectively. Comparison of these excited state energies with the energies of possible excited states of N2+N2 fragments, leads us to propose that the most likely synthetic route for Td N4 involving this mechanism arises from combination of two bound quintet states of N2.

Lee, Timothy J.↗

Evaluation of Cyclo Olefin Polymer as Sabot Material for High-Density Projectiles

Assuring the integrity of spacecraft and its occupants are a priority in the field of space exploration. Micrometeoroids and orbital debris are one of the primary threats that affect spacecraft materials due to the high kinetic energies involved with hypervelocity impacts. Improvement of projectile launching capabilities prompts the investigation of adequate materials for the manufacturing of sabots able to carry high-density projectiles without catastrophic failure. Polycarbonate has been the chosen material by the Hypervelocity Team at White Sands Test Facility for sabots on the 0.50 caliber launcher; however, there is a material constraint when the projectile becomes significantly dense and the inertial stresses surpass the yield strength of the sabot material. This research proposes a new polymer material for manufacturing sabots, known as cyclo olefin polymer (COP) with the purpose of successfully shooting the intended high-density projectiles. In this investigation, both polycarbonate and COP were analyzed using tensile and impact testing to observe the differences in their mechanical properties. The experimental details along with the detailed characterization of the materials are presented.

Tarango, Estebanne↗

Revisiting the capacity-fading mechanism of P2-type sodium layered oxide cathode materials during high-voltage cycling

We report P2-type sodium layered oxide cathode (Na 2/3 Ni 1/3 Mn 2/3 O 2 , P2-NNMO) has attracted great attention as a promising cathode material for sodium ion batteries because of its high specific capacity. However, this material suffers from a rapid capacity fade during high-voltage cycling. Several mechanisms have been proposed to explain the capacity fade, including intragranular fracture caused by the P2-O2 phase transion, surface structural change, and irreversible lattice oxygen release. Here we systematically investigated the morphological, structural, and chemical changes of P2-NNMO during high-voltage cycling using a variety of characterization techniques. It was found that the lattice distortion and crystal-plane buckling induced by the P2-O2 phase transition slowed down the Na-ion transport in the bulk and hindered the extraction of the Na ions. The sluggish kinetics was the main reason in reducing the accessible capacity while other interfacial degradation mechanisms played minor roles. Our results not only enabled a more complete understanding of the capacity-fading mechanism of P2-NNMO but also revealed the underlying correlations between lattice doping and the moderately improved cycle performance.

25 ENERGY STORAGE↗

Hierarchical Gaussian process-based Bayesian optimization for materials discovery in high entropy alloy spaces

Bayesian optimization (BO) is a powerful and data-efficient method for iterative materials discovery and design, particularly valuable when prior knowledge is limited, underlying functional relationships are complex or unknown, and the cost of querying the materials space is significant. Traditional BO methodologies typically utilize conventional Gaussian Processes (cGPs) to model the relationships between material inputs and properties, as well as correlations within the input space. However, cGP-BO approaches often fall short in multi-objective optimization scenarios, where they are unable to fully exploit correlations between distinct material properties. Leveraging these correlations can significantly enhance the discovery process, as information about one property can inform and improve predictions about others. Here, this study addresses this limitation by employing advanced kernel structures to capture and model multi-dimensional property correlations through multi-task (MTGPs) or deep Gaussian Processes (DGPs), thus accelerating the discovery process. We demonstrate the effectiveness of MTGP-BO and DGP-BO in rapidly and robustly solving complex materials design challenges that occur within the context of complex multi-objective optimization over FCC FeCrNiCoCu high entropy alloy (HEA) spaces, where traditional cGP-BO approaches fail. Furthermore, we highlight how the differential costs associated with querying various material properties can be strategically leveraged to make the materials discovery process more cost-efficient.

36 MATERIALS SCIENCE↗