Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “concentration potential”

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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Variability in Ice Nucleating Particles Across Greater Houston Texas

The concentration and cloud-forming potential of a region's ice nucleating particle (INP) population have uncertain impacts on deep convective clouds. Specifically, ice nucleating particles (INPs) may affect various cloud properties related to the formation, lifetime, and precipitation of deep convective clouds. As part of the U.S. Department of Energy's TRacking Aerosol and Convection interaction ExpeRiment (TRACER) campaign, researchers from Texas A&M University deployed three Davis Rotating-drum Universal-size-cut Monitoring (DRUM) samplers throughout Greater Houston, Texas from June through September 2022. Ambient particles, collected at the surface with the DRUM samplers in four aerodynamic diameter size ranges (>3, 3–1.2, 1.2–0.34, and 0.34–0.15 μm), were analyzed in offline cold-stage ice nucleation experiments. The INP population in Greater Houston is complex, varying by site and day, but can be generalized by a weak to moderately efficient mode of INPs at −24°C and an efficient mode at −15°C. Analysis reveals that supermicron particles are largely responsible for ice nucleation warmer than −20°C across the region while submicron particles dominate at temperatures colder than −20°C. Additionally, significant spatial diversity in the INP population was observed, with differences in mean nucleation temperature between sites for nearly every size cut. Although INP concentrations were typically ∼0.08 L −1 at −20°C throughout the campaign, a notable region-wide increase in INP concentration for particles freezing at temperatures warmer than −20°C occurred from mid-August to mid-September. This comprehensive characterization of Greater Houston's INP population, including spatial, temporal, and particle size variations, can help constrain ice microphysics parameterizations in weather and climate models.

Thompson, Seth A. [Texas A & M Univ., College Stat↗
DOE OSTI2025

Thickness scaling and ferroelectric switching in wurtzite structure zinc magnesium oxide thin films

This study reports the thickness scaling of sputtered ferroelectric Zn 0.61 Mg 0.39 O (ZMO) thin films down to 43 nm. Encapsulated IrO 2 /ZMO/Ir capacitors exhibited switchable polarizations exceeding 50 μC cm −2 and coercive fields that increased from 3.9 to 4.4 MV cm −1 as the thickness decreased. Switching kinetics are best described by the simultaneous non-linear nucleation and the growth model. Bimodal switching is prevalent at low thicknesses, with the fastest switching times measured to be approximately 400 ns. Device encapsulation made ZMO switching kinetics more abrupt, potentially due to changes in the concentration of atmosphere-induced defects such as hydroxides. These results demonstrate stable ferroelectricity and sub-microsecond switching in sub-50 nm wurtzite ZMO, highlighting its potential as a low-voltage ferroelectric for integrated nonvolatile memory applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Microstructural Effects of High Dose Helium Implantation in ErD 2

Metal hydrides can store hydrogen isotopes with high volumetric density. In metal tritides, tritium beta decay can result in accumulation of helium within the solid, in some cases exceeding 10 at.% helium after only 4 years of aging. Helium is insoluble in most materials, but often does not readily escape, and instead coalesces to form nanoscale bubbles when helium concentrations are near 1 at.%. Blistering or spallation often occurs at higher concentrations. Radioactive particles shed during this process present a potential safety hazard. This study investigates the effects of high helium concentrations on erbium deuteride (ErD 2 ), a non-radioactive surrogate material for erbium tritide (ErT 2 ). To simulate tritium decay in the surrogate, high doses of 120 keV helium ions were implanted into ErD 2 films at room temperature. Scanning and transmission electron microscopy indicated spherical helium bubble formation at a critical concentration of 1.5 at.% and bubble linkage leading to nanoscale crack formation at a concentration of 7.5 at.%. Additionally, crack propagation occurred through the nanocrack region, resulting in spallation extending from the implantation peak to the surface. Electron energy loss spectroscopy was utilized to confirm the presence of high-pressure helium in the nanocracks, suggesting that helium gas plays a predominant role in deformation. This work improves the overall understanding of helium behavior in ErD 2 by using modern characterization techniques to determine: the critical helium concentration required for bubble formation, the material failure mechanism at high concentration, and the nanoscale mechanisms responsible for material failure in helium implanted ErD 2 .

36 MATERIALS SCIENCE↗
DOE OSTI2022

Watching Polarons Move in the Energy and Frequency Domains Using Color Impedance Spectroscopy

The hybrid electronic–ionic transport property of π-conjugated polymers enables new (opto)electrochemical device constructs for energy conversion and storage and biosensing applications. One major challenge is separating the energy and frequency dependence of Faradaic events–those involving charge transfer and the redox processes of the conjugated backbone–from the non-Faradaic components, such as ionic motion. Herein, we combine optical spectroscopy with electrochemical impedance spectroscopy (EIS) to resolve the frequency response of ionic–electronic coupling as a function of electrochemical doping potential. First, using EIS, we identify two different frequency regimes resulting in potential-dependent capacitive elements on the order of ~10 μF/cm 2 in a high-frequency regime and ~50–150 μF/cm 2 in a low-frequency regime. Given the larger magnitude and greater potential dependence, we posit that polaronic motion is more likely to occur at low frequencies (<1 kHz) and overlaps with ionic motion. The use of color impedance spectroscopy (CIS) enables observation of polaronic motion with frequency modulation. We observe that higher doping potentials show a greater motion of polarons above the DC-bias baseline concentration for onset in electrochemical doping, but all potentials considered demonstrate a critical frequency at which the polaronic motion is “frozen” (~40 Hz). Furthermore, this critical information obtained from CIS in highly dielectric environments offers a unique figure of merit for future studies on electronic–ionic coupling by which to compare across polymer/electrolyte interfaces, including the role of a charge-supporting electrolyte, a solvent, and alternative Faradaic processes (e.g., electrocatalysis).

36 MATERIALS SCIENCE↗
DOE OSTI2025

Automated Redox Titrations via Interdigitated Electrode Arrays: Application to the Mediated Electron Transfer Interrogation of Charge and Rate on Electrodeposited Polymers

Mediated electron transfer (MET) plays a crucial role in energy storage and conversion technologies such as redox targeting flow batteries (RTFBs), yet its experimental investigation often requires labor-intensive and low-throughput setups. To address this, we developed a microfabricated interdigitated electrode array (IDA) platform that enables automated, high-throughput electrochemical redox titration measurement to be performed to study the MET process. Our redox titration method enables simultaneous measurement of the charge capacity and rate of MET processes on a material or surface. Automated redox titration (ART) facilitates systematic investigation of the MET process across a broad parameter space, exemplified through the study of polypyrrole (PPy) and a pyrene-4,5,9,10-tetrone azo group-based polymer (PTAP), both redox-active polymers relevant to various energy storage applications. Using PPy as a model material, 500 redox titration measurements were conducted within 50 h, varying the electrode gap widths, polymer charging potentials, voltammetric scan rates, and electrolyte concentrations. Finite-element simulations confirmed the electrochemical responses and elucidated the kinetics of the MET reactions. Our automated methodology was further tested with PTAP, revealing a surprising charging potential dependence on the rate of MET. The automation, flexibility, and scalability of our redox titration platform pave the way not only for advanced studies of MET processes relevant to RTFBs, but also with implications in the understanding of next-generation energy storage materials, molecular electrocatalysis, and biosensing.

electrochemical analysis↗
DOE OSTI2025

In-situ neutron radiography of pore-water movement in portland cement mortar under subzero temperature exposure: Insights from D 2 O-H 2 O systems

Neutron radiography was employed in this study to monitor real-time pore water movement in portland cement mortar exposed to subzero temperatures, providing novel insights into freeze-thaw (F-T) damage mechanisms. Deuterated water (D 2 O) was used to hydrate the cement in the mortar specimens, and the pore structure was saturated with water (H 2 O), allowing for a contrast that enabled detailed tracking of water movement predominantly in the pore structure. Furthermore, the mortar sample was placed on a chiller plate set to subzero temperatures, thereby providing a one-dimensional temperature gradient vertically in the sample. Neutron radiography revealed that unfrozen water migrated upward as the freezing front advanced, which can create hydraulic pressure within the mortar microstructure and may contribute to the initiation and propagation of microcracks during F-T cycles. Additional characterization of the concrete made with D 2 O showed a marked contrast to the samples made with H 2 O, including delayed hydration, diminished compressive strength, and greater porosity. Therefore, while mortar made with D 2 O allowed for greater neutron contrast to the pores filled with H 2 O, further study is required to produce mortars with similar properties to those made with H 2 O. In addition, further refinement is needed to the radiography experiment to allow for greater control of temperatures and potential quantification of the water concentration.

Air-void system↗
DOE OSTI2023

Tracking Molecular Transport Across Oil/Aqueous Interfaces: Insight into “Antagonistic” Binding in Solvent Extraction

Liquid/liquid (L/L) interfaces play a key, yet poorly understood, role in a range of complex chemical phenomena where time-evolving interfacial structures and transient supramolecular assemblies act as gatekeepers to function. Here, for this study, we employ surface-specific vibrational sum frequency generation combined with neutron and X-ray scattering methods to track the transport of dioctyl phosphoric acid (DOP) and di-(2-ethylhexyl) phosphoric acid (DEHPA) ligands used in solvent extraction at buried oil/aqueous interfaces away from equilibrium. Our results show evidence for a dynamic interfacial restructuring at low ligand concentrations in contrast to expectation. These time-varying interfaces arise from the transport of sparingly soluble interfacial ligands into the neighboring aqueous phase. These results support a proposed “antagonistic” role of ligand complexation in the aqueous phase that could serve as a holdback mechanism in kinetic liquid extractions. These findings provide new insights into interfacially controlled chemical transport at L/L interfaces and how these interfaces vary chemically, structurally, and temporally in a concentration-dependent manner and present potential avenues to design selective kinetic separations.

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

Atomistic Insights into Lithium–Glyme Solvate Ionic Liquids: Effects of Chain Length and Anion Coordination

For this study, mixtures of lithium bis(trifluoromethanesulfonyl)imide (LiTFSI) in diglyme (G2), triglyme (G3) and tetraglyme (G4) at solvate ionic liquid (SIL) concentrations were investigated using classical molecular dynamics (cMD) simulations with a physically motivated force-field specifically developed for modeling these systems. The structural and dynamical properties of the mixtures were computed and analyzed. Lithium solvation shells, radial distribution functions, and X-ray structure factors were studied across the different SIL systems. Translational diffusion and rotational relaxation times were also evaluated, exhibiting similar trends with increasing glyme chain length. The results are consistent with experimental data and in good agreement with previous computational studies on G3 and G4. These findings validate the accuracy of the force field in modeling glyme systems and its use for describing the [Li(G2) 4/3 ][TFSI] mixture. Additionally, the thermal and electrochemical stability of these electrolytes were systematically examined. The thermal stability appears to be governed by cooperative interactions among glyme molecules, while the electrochemical stability is primarily influenced by Li + -anion interactions, which vary significantly with glyme chain length. Overall, the study sheds light on the crucial role of the anion in these glyme-based SILs and offers valuable insights into Li + -glyme systems at SIL concentrations, highlighting their promise as potential Li-ion battery electrolytes.

anions↗
DOE OSTI2021

Solvent-induced electrochemistry at an electrically asymmetric carbon Janus particle

Chemical doping through heteroatom substitution is often used to control the Fermi level of semiconductor materials. Doping also occurs when surface adsorbed molecules modify the Fermi level of low dimensional materials such as carbon nanotubes. A gradient in dopant concentration, and hence the chemical potential, across such a material generates usable electrical current. This opens up the possibility of creating asymmetric catalytic particles capable of generating voltage from a surrounding solvent that imposes such a gradient, enabling electrochemical transformations. In this work, we report that symmetry-broken carbon particles comprised of high surface area single-walled carbon nanotube networks can effectively convert exothermic solvent adsorption into usable electrical potential, turning over electrochemical redox processes in situ with no external power supply. The results from ferrocene oxidation and the selective electro-oxidation of alcohols underscore the potential of solvent powered electrocatalytic particles to extend electrochemical transformation to various environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Polymorphism of garnet solid electrolytes and its implications for grain-level chemo-mechanics

Understanding and mitigating filament formation, short-circuit and solid electrolyte fracture is necessary for advanced all-solid-state batteries. Here, we employ a coupled far-field high-energy diffraction microscopy and tomography approach for assessing the chemo-mechanical behaviour for dense, polycrystalline garnet (Li 7 La 3 Zr 2 O 12 ) solid electrolytes with grain-level resolution. In situ monitoring of grain-level stress responses reveals that the failure mechanism is stochastic and affected by local microstructural heterogeneity. In this work, coupling high-energy X-ray diffraction and far-field high-energy diffraction microscopy measurements reveals the presence of phase heterogeneity that can alter local chemo-mechanics within the bulk solid electrolyte. These local regions are proposed to be regions with the presence of a cubic polymorph of LLZO, potentially arising from local dopant concentration variation. The coupled tomography and FF-HEDM experiments are combined with transport and mechanics modelling to illustrate the degradation of polycrystalline garnet solid electrolytes. The results showcase the pathways for processing high-performing solid-state batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Performance Assessment of Pakistani Central Receiver Plant Case Study Using Aimpoint Strategy Optimization Tools

Pakistan has a high potential for both photovoltaic and Concentrated Solar Power (CSP) deployment to meet its energy requirements. Previous feasibility studies have shown that a variety of CSP technologies are both technically and economically viable in the Pakistani climate and can significantly mitigate the country's current lack of grid reliability. This work aims to enhance the performance of a previously designed Central Receiver System (CRS) plant for Pakistan using state-of-the-art aimpoint optimization methods. Results from our case study show that optimized aiming strategies have increased practicality due to their adherence to flux limitations on the receiver, and offer ~2.4% more thermal energy delivered to the receiver for the Pakistani case study compared to modern performance characterization software, translating to up to 149 additional hours of nameplate-capacity production to address the shortfall in an electricity-starved market.

central receiver system↗
DOE OSTI2023

Tuning microwave losses in superconducting resonators

Abstract The performance of superconducting resonators, particularly cavities for particle accelerators and micro cavities and thin film resonators for quantum computations and photon detectors, has been improved substantially by recent material treatments and technological advances. As a result, the niobium cavities have reached the quality factors Q ∼ 10 11 at 1–2 GHz and 1.5 K and the breakdown radio-frequency (rf) fields H close to the dc superheating field of the Meissner state. These advances raise the questions of whether the state-of-the-art cavities are close to the fundamental limits, what these limits actually are, and to what extent the Q and H limits can be pushed by the materials nano structuring and impurity management. These issues are also relevant for many applications using high-Q thin film resonators, including single-photon detectors and quantum circuits. This topical review outlines basic physical mechanisms of the rf nonlinear surface impedance controlled by quasiparticles, dielectric losses and trapped vortices, as well as the dynamic field limit of the Meissner state. Sections cover methods of engineering an optimum quasiparticle density of states and superfluid density to reduce rf losses and kinetic inductance by pairbreaking mechanisms related to magnetic impurities, rf currents, and proximity-coupled metallic layers at the surface. A section focuses on mechanisms of residual surface resistance, which dominates rf losses at ultra low temperatures. Microwave losses of trapped vortices and their reduction by optimizing the concentration of impurities and pinning potential are also discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Experimental Measurements of Ion Diffusion Coefficients and Heating in a Multi-Ion-Species Plasma Shock

Collisional plasma shocks generated from supersonic flows are an important feature in many astrophysical and laboratory high-energy-density plasmas. Compared to single-ion-species plasma shocks, plasma shock fronts with multiple ion species contain additional structure, including interspecies ion separation driven by gradients in species concentration, temperature, pressure, and electric potential. We present time-resolved density and temperature measurements of two ion species in collisional plasma shocks produced by head-on merging of supersonic plasma jets, allowing determination of the ion diffusion coefficients. Here our results provide the first experimental validation of the fundamental inter-ion-species transport theory. The temperature separation, a higher-order effect reported here, is valuable for advancements in modeling HED and ICF experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Grid-Forming Inverters for Stability Improvements in Bulk Power Systems with High Inverter-Based Resources Penetration

The grid-forming inverter (GFM) has been considered recently as a means to enhance grid stability in areas with Inverter-based Resources (IBRs) concentration. This paper assesses the potential improvements the GFM can bring to Bulk-power Systems (BPS) through two distinct studies. The first study was conducted on West Texas in ERCOT with presence of more than 35GW of IBRs, the Grid-Following (GFL) batteries were replaced with GFM batteries. The results demonstrate that the GFM significantly improved the voltage profile and active power injection during and after a fault. The second study focused on a local area within ERCOT grid. In this case, a battery operating as GFL within the local study area was replaced with a GFM battery. The findings clearly illustrate that GFM can strengthen the area and allow a higher IBRs power generation and a higher power export from the local study area.

Quedan, Amro↗
DOE OSTI2020

Searching for correlations between vibrational spectral features and structural parameters of silicate glass network

Infrared (IR) and Raman spectroscopic features of silicate glasses are usually interpreted based on the analogy with those of smaller molecules, molecular clusters, or crystalline counterparts; this study tests the accuracy and validity of these widely cited peak assignment schemes by comparing vibrational spectral features with bond parameters of the glass network created by molecular dynamics (MD) simulations. A series of sodium silicate glasses with compositions of [Na 2 O] x [Al 2 O 3 ] 2 [SiO 2 ] 98- x with x = 7, 12, 17, and 22 were synthesized and analyzed with IR and Raman. A silica glass substrate and a crystalline quartz were also analyzed for comparison. Glass structures with the same compositions were generated with MD simulations using three types of potentials: fixed partial charge pairwise (Teter), partial diffuse charge potential (MGFF), and bond order-based charge transfer potential (ReaxFF). The comparison of simulated and experimental IR spectra showed that, among these three potentials tested, ReaxFF reproduces the concentration dependence of spectral features closest to the experimentally observed trend. Hence, the bond length and angle distributions as well as Si– Q n species and ring size distributions of silica and sodium silicate glasses were obtained from ReaxFF-MD simulations and further compared with the peak assignment or deconvolution schemes—which have been widely used since 1970s and 1980s—(a) correlation between the IR peak position in the Si–O stretch region (1050-1120 cm -1 ) and the Si–O–Si bond angle; (b) deconvolution of the Raman bands in the Si–O stretch region with the Q n speciation; and (c) assignment of the Raman bands in the 420-600 cm -1 region to the bending modes of (SiO) n rings with different sizes (typically, n = 3-6). The comparisons showed that none of these widely used methods is congruent with the bond parameters or structures of silicate glass networks produced via ReaxFF-MD simulations. This result invokes that the adequacy of these spectral interpretation methods must be questioned. Alternative interpretations are proposed, which are to be tested independently in future studies.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Parabolic Trough Collector Cost Update for Industrial Process Heat In The United States

Despite great potential, the worldwide adoption of concentrating solar thermal (CST) collectors for solar industrial process heat (SIPH) is modest. Industrial process heat (IPH) demands for heat and steam are typically below 300 degrees C, where CST collectors can provide the needed heat. Parabolic trough collectors (PTCs) are the most deployed CST technology for SIPH applications. This paper is focused on the United States, and a summary of known operating parabolic trough plants is shown. A previous analysis of a modern PTC in 2016 found that for SIPH applications, the installed solar field cost could be $200/m2 (2016$). Recent advances in PTC design and manufacturing have led to reduced cost per square meter of aperture area, and for a field of 510 solar collector assemblies (SCAs), the installed cost was $120/m2 (2020$). On one hand, the results from this study showed that the solar field cost for large solar fields (510 SCAs or ~804,000 m2) would increase to $184/m2 (2023$) due to post pandemic inflation and increase in metal prices. On the other hand, medium SIPH sized fields (90 SCAs or ~142,000 m2) cost analysis indicated an installed cost could be $197/m2 (2023$). When small SIPH fields (12 SCAs or ~19,000 m2) are considered, this jumps to $297/m2 (2023$). These are cost estimates for the Installed Cost of the solar fields using the United States 2023$ steel prices. When Chinese steel is used for comparison, the installed cost could be between $162 - $210/m2 for the range of SIPH sizes.

concentrating solar thermal↗
DOE OSTI2023

From Hydrometeor Size Distribution Measurements to Projections of Wind Turbine Blade Leading-Edge Erosion

Wind turbine blade leading-edge erosion (LEE) is a cause of increased operation and maintenance costs and decreased annual energy production. Thus, detailed, site-specific quantification of likely erosion conditions are critically needed to inform wind plant owner/operator decisions regarding mitigation strategies. Estimating the damage potential at a wind plant site requires accurate measurement of precipitation intensity, phase, droplet size distributions, wind speeds and their joint statistics. The current work quantifies the effect of disdrometer type on the characterization of LEE potential at a site in the US Southern Great Plains. using observations from three co-located disdrometers (an optical, an impact and a video disdrometer), along with hub-height wind-speed observations from a Doppler lidar and two LEE models: a kinetic energy model and the Springer model. Estimates of total kinetic energy of hydrometeor impacts over the four-year study period vary by as much as 38%, and coating lifetime derived from accumulated distance-to-failure estimates from the Springer model differ by an even greater amount, depending on disdrometer type. Damage potential at this site is concentrated in time, with 50% of impact kinetic energy occurring in 6–12 h per year, depending on which set of disdrometer observations is used. Rotor-speed curtailment during the most erosive 0.1–0.2% of 10 min periods is found to increase blade lifetimes and lead to the lowest levelized cost of energy.

17 WIND ENERGY↗
DOE OSTI2020

Produced Water Desalination via Pervaporative Distillation

Herein, we report on the performance of a hybrid organic-ceramic hydrophilic pervaporation membrane applied in a vacuum membrane distillation operating mode to desalinate laboratory prepared saline waters and a hypersaline water modeled after a real oil and gas produced water. The rational for performing “pervaporative distillation” is that highly contaminated waters like produced water, reverse osmosis concentrates and industrial have high potential to foul and scale membranes, and for traditional porous membrane distillation membranes they can suffer pore-wetting and complete salt passage. In most of these processes, the hard to treat feed water is commonly softened and filtered prior to a desalination process. This study evaluates pervaporative distillation performance treating: (1) NaCl solutions from 10 to 240 g/L at crossflow Reynolds numbers from 300 to 4800 and feed-temperatures from 60 to 85 °C and (2) a real produced water composition chemically softened to reduce its high-scale forming mineral content. The pervaporative distillation process proved highly-effective at desalting all feed streams, consistently delivering <10 mg/L of dissolved solids in product water under all operating condition tested with reasonably high permeate fluxes (up to 23 LMH) at optimized operating conditions.

54 ENVIRONMENTAL SCIENCES↗