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At least 739 records · Page 41

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NASA NTRS2002

Miniature Heat Transport System for Spacecraft Thermal Control

Loop heat pipes (LHP) are efficient devices for heat transfer and use the basic principle of a closed evaporation-condensation cycle. The advantage of using a loop heat pipe over other conventional methods is that large quantities of heat can be transported through a small cross-sectional area over a considerable distance with no additional power input to the system. By using LHPs, it seems possible to meet the growing demand for high-power cooling devices. Although they are somewhat similar to conventional heat pipes, LHPs have a whole set of unique properties, such as low pressure drops and flexible lines between condenser and evaporator, that make them rather promising. LHPs are capable of providing a means of transporting heat over long distances with no input power other than the heat being transported because of the specially designed evaporator and the separation of liquid and vapor lines. For LHP design and fabrication, preliminary analysis on the basis of dimensionless criteria is necessary because of certain complicated phenomena that take place in the heat pipe. Modeling the performance of the LHP and miniaturizing its size are tasks and objectives of current research. In the course of h s work, the LHP and its components, including the evaporator (the most critical and complex part of the LHP), were modeled with the corresponding dimensionless groups also being investigated. Next, analysis of heat and mass transfer processes in the LHP, selection of the most weighted criteria from known dimensionless groups (thermal-fluid sciences), heat transfer rate limits, (heat pipe theory), and experimental ratios which are unique to a given heat pipe class are discussed. In the third part of the report, two-phase flow heat and mass transfer performances inside the LHP condenser are analyzed and calculated for Earth-normal gravity and microgravity conditions. On the basis of recent models and experimental databanks, an analysis for condensing two-phase flow regimes, pressure gradients, and local heat transfer coefficients using ammonia, propylene, and R134, are carried out.

Ochterbeck, Jay M.↗

DOE OSTI2016

SU-F-T-250: What Does It Take to Correctly Assess the High Failure Modes of an Advanced Radiotherapy Procedure Such as Stereotactic Body Radiation Therapy?

Purpose: Assess the correct implementation of risk-based methodology of TG 100 to optimize quality management and patient safety procedures for Stereotactic Body Radiation Therapy. Methods: A detailed process map of SBRT treatment procedure was generated by a team of three physicists with varying clinical experience at our institution to assess the potential high-risk failure modes. The probabilities of occurrence (O), severity (S) and detectability (D) for potential failure mode in each step of the process map were assigned by these individuals independently on the scale from1 to 10. The risk priority numbers (RPN) were computed and analyzed. The highest 30 potential modes from each physicist’s analysis were then compared. Results: The RPN values assessed by the three physicists ranged from 30 to 300. The magnitudes of the RPN values from each physicist were different, and there was no concordance in the highest RPN values recorded by three physicists independently. The 10 highest RPN values belonged to sub steps of CT simulation, contouring and delivery in the SBRT process map. For these 10 highest RPN values, at least two physicists, irrespective of their length of experience had concordance but no general conclusions emerged. Conclusion: This study clearly shows that the risk-based assessment of a clinical process map requires great deal of preparation, group discussions, and participation by all stakeholders. One group albeit physicists cannot effectively implement risk-based methodology proposed by TG100. It should be a team effort in which the physicists can certainly play the leading role. This also corroborates TG100 recommendation that risk-based assessment of clinical processes is a multidisciplinary team effort.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2020

Molten Chloride Thermophysical Properties, Chemical Optimization, and Purification

Next-generation concentrating solar power (CSP) technology requires high-temperature heat-transfer fluids and thermal energy storage that can operate in the temperature range of 500°–720°C. This high temperature demands a new chemistry for the heat-transfer fluids that must have high-temperature thermal and chemical stabilities, high energy density, and low corrosion rate on metallic materials used in the heat exchangers, piping, and thermal energy storage tanks. A ternary MgCl 2 -KCl-NaCl chloride-salt system has been proposed to achieve such goals, given its high-temperature thermal stability. The chloride-salt-based systems have been used by the metallurgy industry as the electrolyte to electrolytically extract metallic magnesium. They have also attracted attentions from the nuclear industry for developing the molten salt fast reactors that can operate at close to atmospheric pressure and at higher temperature than traditional light-water reactors. However, the corrosion properties of the ternary salt are not well known. The corrosion mechanism is believed to be correlated to the presence of MgOHCl impurity at the operation temperature. MgOHCl is fundamentally caused by the hygroscopic nature of the MgCl 2 component. Therefore, the first key objective of this project is to understand the nature of the corrosiveness of the ternary chloride-salt system and its prevention by designing new lab-scale purification processes. Because of its importance, a working group called the Chloride Salt Collective across multiple U.S. Department of Energy national laboratories is established to gain experimental agreement on the corrosion behaviors. In addition, water generation during salt dehydration could lead to highly corrosive HCl/water mixture via a hydrolysis process between water and anhydrous MgCl 2 or MgCl 2 hydrates. MgOHCl will eventually be converted to MgO particulates regardless of the chemical path chosen (i.e., by thermal decomposition, chemical purification with an active metal, or electrochemical purification utilizing the reduction power of electron flows). Large MgO particles with high hardness can wear out bearing and bushing and even clog the delicate channels in the primary heat exchanger. Because of this, a second objective is to understand the chemistry behind salt purification and transfer the scientific understanding to a set of engineering know-how for large-scale salt melter design. Because there is limited information on the thermophysical properties and the sensitivity of these properties around the targeted salt composition, a third objective is to measure thermophysical properties relevant to system and component design and support Topic 1 Liquid Pathway development. For example, composition shift due to salt reaction with water can be a potential issue because it can lead to changes of thermophysical properties, such as (1) melting point (or freeze point), which can jeopardize safe operation of the supercritical CO 2 power cycle proposed for next-generation CSP, and (2) heat capacity and density, which can decrease the overall power-generation capability of the plants. The value of the thermal conductivity of the selected salt composition is also a critical criterion for the solar receiver design.

14 SOLAR ENERGY↗

NASA NTRS1984

The chemistry and origin of the ordinary chondrites Implications from refractory-lithophile and siderophile elements

Thirty-eight ordinary chondrites (17 H, 20 L, and 1 LL) have been analyzed for major and selected trace elements. These data indicate that the lithophile elements Mg, Ca, Al, Cr, and V normalized to Si are in higher abundance in the H than in the L chondrites. The siderophile elements Ni, Co, and Fe show very good correlation within, as well as between, the two major ordinary chondrite groups. Twenty-four of the analyses are of Antarctic finds, while ten are samples of falls. Comparing the Antarctic data with the fall data reveals no evidence that any of the elements studied here have been mobilized by terrestrial weathering processes. Within the H and L chondrite groups there is little chemical variation, indicating that the source of these samples is remarkably homogeneous. Equilibrium condensate fractionation from a nebula of CI composition can result in the observed ordinary chondrite compositions. The fractionation of metal at about 1440 K (and 0.001 atm) into high and low iron groups, followed by a gas-solid fractionation at about 1380 K with the H group losing more solids than the L, will produce the observed H and L compositions and intragroup trends.

Fulton, C. R.↗

DOE OSTI2018

Low-Temperature Electrochemical Upgrading of Bio-oils Using Polymer Electrolyte Membranes

While bio-oil-derived fuels hold much promise as a replacement for petroleum, transformation of the highly oxygenated mixture has proven challenging. In particular, bio-oils are reactive and difficult to upgrade through catalytic pyrolysis. To reach a stabilized product capable of deep deoxygenation at elevated pressure and temperature, conversion or separation of reactive groups is required. This paper describes an electrochemical process for stabilization and upgrading of bio-oils prior to hydrotreating at high pressure and temperature. This electrolytic process uses a three-compartment cell designed to hydrogenate reactive carbonyl components while separating small acid molecules, such as acetic and formic acids, which act as catalysts for condensation reactions and consume hydrogen gas to produce low-value gases in hydrotreating. To avoid conductivity issues, electrodes are appended to anion- and cation-exchange membranes. The cell was tested using a mixed acetic acid and formic acid surrogate fed to the cathode compartment, where the decrease in the concentration followed the applied charge to the cell. Experiments performed using pine pyrolysis oil demonstrated a significant reduction in the total acid number (TAN), an increase in pH from 2.6 to over 4, and a modest reduction of the carbonyl concentration. Analysis showed the reduction in TAN was primarily due to removal of carboxylic compounds. Experiments observed a decrease in the reactive carbonyl (aldehydes and ketones) concentration that followed applied charge. The results with the newly devised reactor show promise for the electrochemical route for upgrading bio-oils, but significant improvements in TAN removal and carbonyl conversion are needed. Given the distributed nature of biomass, an electrochemical process paired with pyrolysis could be used to densify and stabilize an oil product near the source. The densified liquid could then be shipped to centralized refineries for final upgrading to fuel and/or chemical products.

Lister, Tedd↗

DOE OSTI2021

A dissolution model of alite coupling surface topography and ions transport under different hydrodynamics conditions at microscale

Portland cement is the most produced material in the world. The hydration process of cement consists of a group of complex chemical reactions. In order to investigate the mechanism of cement hydration, it is vital to study the hydration of each phase separately. An integrated model is proposed in this paper to simulate the dissolution of alite under different hydrodynamic conditions at microscale, coupling Kinetic Monte Carlo model (KMC), Lattice Boltzmann method (LBM) and diffusion boundary layer (DBL). The dissolution of alite is initialised with KMC. Two Multiple-relaxation-time (MRT) LB models are used to simulate the fluid flow and transport of ions, respectively. For solid-liquid interface, DBL is adapted to calculate the concentration gradient and dissolution flux. The model is validated with experiment from literature. The simulation results show good agreements with the results published in the literature.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Aging of UV curable PDMS developed for large-scale, high viscosity stereolithography

Polydimethylsiloxane (PDMS) elastomers are silicone rubbers that find widespread application in both academic and industrial settings. This study investigates the use of photosensitive platinum catalysts for UV-activated hydrosilylation of PDMS, which enables the additive manufacturing of PDMS objects through techniques such as stereolithography. Specifically, this study focuses on understanding the aging behavior of Pt-catalyzed, UV-curable PDMS samples, including their mechanical behavior under thermal and UV-accelerated aging conditions. The results show that the Pt-catalyzed, UV-curable PDMS introduced in this research is ‘under-cured’ after being printed and will slowly evolve over time resulting in increased stiffness and decreased elongation, likely due to the formation of additional crosslinks. FTIR spectroscopy indicates that no new chemical bonds or functional groups are generated through the aging process, suggesting that no thermal degradation or polymer chain scissions occur in the polymer matrix. Overall, this PDMS formulation exhibits greater mechanical strength and significantly less reduction in strength with aging, compared with the commonly used, UV-curable thiol-ene PDMS.

36 MATERIALS SCIENCE↗

DOE OSTI2026

CO 2 Sorption in Moisture Swing Anion Exchange Resins for Direct Air Capture: Experimental Isotherm Determination and Modeling

Moisture swing (MS) sorption is a promising direct air capture (DAC) technology to achieve negative CO 2 emissions and counter global warming. Here, in this study, MS CO 2 sorption in a model MS sorbent, IRA900, was investigated. IRA900 is a macroporous commercial strong-base anion exchange resin (AER) with quaternary ammonium functional groups. A rigorous CO 2 desorption process was developed to desorb all CO 2 from the sample and obtain CO 2 sorption isotherms as a function of relative humidity, CO 2 partial pressure, and temperature. CO 2 sorption increased with decreasing relative humidity, decreasing temperature, and increasing CO 2 partial pressure. Remarkably, the total CO 2 uptake from the sorption isotherms matched the ion exchange capacity (IEC) of the material, suggesting a stoichiometry of one CO 2 molecule reacting per active site. An isotherm model for CO 2 sorption starting with empty sorption sites (i.e., with the AER in the OH – form) described the experimental data well, supporting the hypothesis that the bicarbonate-loaded AER fully unloaded to the OH – state following rigorous CO 2 desorption. CO 2 sorption kinetics were studied, and carbon diffusion coefficients were estimated as a function of %RH and CO 2 partial pressure. Overall, this study provides a roadmap for the systematic evaluation of MS CO 2 DAC materials.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2019

Poly(lactic acid) Toughening through Chain End Engineering

The intrinsic brittleness of poly(lactic acid) (PLA) has hindered its widespread use in many structural applications. Various strategies have been developed to toughen PLA; however, most of the methods lead to a trade-off in strength or modulus. In this study, a chain end engineering strategy was developed to toughen PLA via an industry-friendly melt processing method. Green acids with multifunctional groups, such as 1,2,3,4-butanetetracarboxylic acid (BTCA), were used to modify PLA chain ends/tails via a melt reaction. We report a remarkable improvement in toughness (16×) was achieved by the addition of a minimal amount of BTCA (0.5%). At the same time, the toughened PLA samples maintained the tensile strength and Young’s modulus of neat PLA, suggesting a unique toughening mechanism that is different from the plasticizing effect. Other acid–based modifiers with different numbers of functional groups were also studied in this work. To understand the toughening, we propose a chain end engineering picture that can improve the toughness via a reduction in the number density of chain ends or defects of entanglement and the formation of long-branch topological structures. This study demonstrates a unique and cost-effective strategy for toughening PLA via scalable melt reaction without sacrificing other mechanical properties of PLA, potentially broadening the applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2017

Temperature-regulated guest admission and release in microporous materials

While it has long been known that some highly adsorbing microporous materials suddenly become inaccessible to guest molecules below certain temperatures, previous attempts to explain this phenomenon have failed. Here we show that this anomalous sorption behaviour is a temperature-regulated guest admission process, where the pore-keeping group’s thermal fluctuations are influenced by interactions with guest molecules. A physical model is presented to explain the atomic-level chemistry and structure of these thermally regulated micropores, which is crucial to systematic engineering of new functional materials such as tunable molecular sieves, gated membranes and controlled-release nanocontainers. The model was validated experimentally with H 2 , N 2 , Ar and CH 4 on three classes of microporous materials: trapdoor zeolites, supramolecular host calixarenes and metal-organic frameworks. We also demonstrate how temperature can be exploited to achieve appreciable hydrogen and methane storage in such materials without sustained pressure. Our findings also open new avenues for gas sensing and isotope separation.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Continental scale structuring of forest and soil diversity via functional traits

Trait-based ecology claims to offer a mechanistic approach for explaining the drivers that structure biological diversity and predicting the responses of species, trophic interactions and ecosystems to environmental change. However, support for this claim is lacking across broad taxonomic groups. A framework for defining ecosystem processes in terms of the functional traits of their constituent taxa across large spatial scales is needed. Here, we provide a comprehensive assessment of the linkages between climate, plant traits and soil microbial traits at many sites spanning a broad latitudinal temperature gradient from tropical to subalpine forests. Our results show that temperature drives coordinated shifts in most plant and soil bacterial traits but these relationships are not observed for most fungal traits. Shifts in plant traits are mechanistically associated with soil bacterial functional traits related to carbon (C), nitrogen (N) and phosphorus (P) cycling, indicating that microbial processes are tightly linked to variation in plant traits that influence rates of ecosystem decomposition and nutrient cycling. In conclusion, our results are consistent with hypotheses that diversity gradients reflect shifts in phenotypic optima signifying local temperature adaptation mediated by soil nutrient availability and metabolism. They underscore the importance of temperature in structuring the functional diversity of plants and soil microbes in forest ecosystems and how this is coupled to biogeochemical processes via functional traits.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

A highly efficient uranium grabber derived from acrylic fiber for extracting uranium from seawater

Acrylic fiber can be chemically converted to an am- idoxime and carboxylate containing chelating adsorbent for extraction of uranium from seawater. At an optimized ratio of amidoxime:carboxylate, the chelating fiber in real seawater shows a higher uranium, shorter saturation time and lower vanadium adsorption capacity relative to similar high-surface area chelating fibers developed recently using a radiation-induced grafting method. This simple and low-cost synthesis method can be scaled up to mass produce the chelating fiber for recovering metals from aquatic environments including production of uranium from seawater.

Pan, H B.↗

DOE OSTI2014

Enhanced 2.7 μm emission from Er{sup 3+} doped oxyfluoride tellurite glasses for a diode-pump mid-infrared laser

The influence of fluoride and shielding gas (O{sub 2} or Ar) on the physical and spectroscopic properties of Er{sup 3+} doped TeO{sub 2}-ZnO-ZnF{sub 2} glass system is investigated. The larger electronegativity of F than O accounts for the gradual decrease of refractive index, density, and J-O parameters with increasing ZnF{sub 2}. An analysis on Fourier transform infrared transmission spectra reveals that the absorption coefficient of OH{sup −} around 3 μm as low as 0.247 cm{sup −1} can be achieved when 30 mol% ZnF{sub 2} containing sample is treated with Ar gas during glass melting process. The reduction of OH{sup −} groups combined with the low multiphonon relaxation rate (207 s{sup −1}) contributes to the enhanced emissions at 1.5 and 2.7 μm, along with prolonged lifetimes of {sup 4}I{sub 11/2} and {sup 4}I{sub 13/2} levels. A high branching ratio (17.95%) corresponding to the Er{sup 3+}: {sup 4}I{sub 11/2} → {sup 4}I{sub 13/2} transition, the large absorption and emission cross section (0.44 × 10{sup −20} cm{sup 2} and 0.45 × 10{sup −20} cm{sup 2}), and good gain cross section demonstrate that oxyfluoride tellurite glass could be a promising material for a diode-pump 2.7 μm fiber laser.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Patterning via optical-saturable transformations: A review and simple simulation model

Most of the nanoscale fabrication in the semiconductor industry is based on patterning with scanning-electron beam lithography (SEBL). Although this approach is very versatile and has very high resolution, it is intrinsically a serial writing process, and therefore, relatively slow. Our group has been investigating alternative nano-fabrication techniques, adapted from ideas of saturating optical transitions such as those used in stimulated emission-depletion microscopy and related methods, and optical interference lithography. Linewidths and resolutions on the scale of a few tens of nanometers and below are highly desirable for various applications in nanotechnology. However, the spatial resolution of optical lithography is restricted by diffraction. In the past, we developed absorbance modulation to overcome this limit. This approach utilizes photochromic molecules that can be optically switched between two thermally stable states, one opaque and the other transparent. However, absorbance modulation is limited to surface (2-D) patterning. Here, we report on an alternative approach that exploits unique combinations of spectrally selective reversible and irreversible photochemical transitions to achieve deep subwavelength resolution with potential extension to 3-dimensions. This approach, which we refer to as patterning via optical-saturable transformations have the potential for massive parallelism, enabling the creation of nanostructures and devices at a speed far surpassing what is possible with SEBL. The aim of our research is to translate the success in circumventing Abbe's diffraction limit in optical microscopy to optical lithography.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Material coherence from trajectories via Burau eigenanalysis of braids

In this paper, we provide a numerical tool to study a material’s coherence from a set of 2D Lagrangian trajectories sampling a dynamical system, i.e., from the motion of passive tracers. We show that eigenvectors of the Burau representation of a topological braid derived from the trajectories have levelsets corresponding to components of the Nielsen–Thurston decomposition of the dynamical system. One can thus detect and identify clusters of space–time trajectories corresponding to coherent regions of the dynamical system by solving an eigenvalue problem. Unlike previous methods, the scalable computational complexity of our braid-based approach allows the analysis of large amounts of trajectories.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Diamond surface functionalization via visible light–driven C–H activation for nanoscale quantum sensing

Nitrogen-vacancy (NV) centers in diamond are a promising platform for nanoscale NMR sensing. Despite significant progress toward using NV centers to detect and localize nuclear spins down to the single spin level, NV-based spectroscopy of individual, intact, arbitrary target molecules remains elusive. Such sensing requires that target molecules are immobilized within nanometers of NV centers with long spin coherence. The inert nature of diamond typically requires harsh functionalization techniques such as thermal annealing or plasma processing, limiting the scope of functional groups that can be attached to the surface. Solution-phase chemical methods can be readily generalized to install diverse functional groups, but they have not been widely explored for single-crystal diamond surfaces. Moreover, realizing shallow NV centers with long spin coherence times requires highly ordered single-crystal surfaces, and solution-phase functionalization has not yet been shown with such demanding conditions. In this work, we report a versatile strategy to directly functionalize C–H bonds on single-crystal diamond surfaces under ambient conditions using visible light, forming C–F, C–Cl, C–S, and C–N bonds at the surface. This method is compatible with NV centers within 10 nm of the surface with spin coherence times comparable to the state of the art. As a proof-of-principle demonstration, we use shallow ensembles of NV centers to detect nuclear spins from surface-bound functional groups. Our approach to surface functionalization opens the door to deploying NV centers as a tool for chemical sensing and single-molecule spectroscopy.

Science & Technology - Other Topics↗

DOE OSTI2017

Polycomb repressive complex 2 in an autoinhibited state

Polycomb-group proteins control many fundamental biological processes, such as anatomical development in mammals and vernalization in plants. Polycomb repressive complex 2 (PRC2) is responsible for methylation of histone H3 lysine 27 (H3K27), and trimethylated H3K27 (H3K27me3) is implicated in epigenetic gene silencing. Recent genomic, biochemical, and structural data indicate that PRC2 is broadly conserved from yeast to human in many aspects. Here, we determined the crystal structure of an apo-PRC2 from the fungus Chaetomium thermophilum captured in a bona fide autoinhibited state, which represents a novel conformation of PRC2 associated with enzyme regulation in light of the basal and stimulated states that we reported previously. We found that binding by the cofactor S-adenosylmethionine mitigates this autoinhibited structural state. Using steady-state enzyme kinetics, we also demonstrated that disrupting the autoinhibition results in a vastly activated enzyme complex. Autoinhibition provides a novel structural platform that may enable control of PRC2 activity in response to diverse transcriptional states and chromatin contexts and set a ground state to allow PRC2 activation by other cellular mechanisms as well.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2017

Efficiency of fermionic quantum distillation

Here, we present a time-dependent density-matrix renormalization group investigation of the quantum distillation process within the Fermi-Hubbard model on a quasi-one-dimensional ladder geometry. The term distillation refers to the dynamical, spatial separation of singlons and doublons in the sudden expansion of interacting particles in an optical lattice, i.e., the release of a cloud of atoms from a trapping potential. Remarkably, quantum distillation can lead to a contraction of the doublon cloud, resulting in an increased density of the doublons in the core region compared to the initial state. As a main result, we show that this phenomenon is not limited to chains that were previously studied. Interestingly, there are additional dynamical processes on the two-leg ladder such as density oscillations and self-trapping of defects that lead to a less efficient distillation process. An investigation of the time evolution starting from product states provides an explanation for this behavior. Initial product states are also considered since in optical lattice experiments, such states are often used as the initial setup. We propose configurations that lead to a fast and efficient quantum distillation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗