Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “DECOUPLING”

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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

A Case Study in Low Aerosol Number Concentrations Over the Eastern North Atlantic: Implications for Pristine Conditions in the Remote Marine Boundary Layer

We present a case study (20 September to 13 October 2015) of synergistic, multi-instrument observations of aerosols, clouds, and the marine boundary layer (MBL) at the Eastern North Atlantic (ENA) Atmospheric Radiation Measurement site centered on a period of exceptionally low (20–50 cm -3 ) surface accumulation mode (0.1–1 μm) aerosol particle number concentrations. We divide the case study into three regimes (high, clean, and ultraclean) based on daily median number concentrations and compare finer resolution (hourly or less) observations between these regimes. The analysis focuses on the possibility of using these ultraclean events to study pristine conditions in the remote MBL, as well as examining evidence for a recently proposed conceptual model for the large-scale depletion of cloud condensation nuclei-sized particles in postfrontal air masses. Relative to the high and clean regimes, the ultraclean regime tends to exhibit significantly fewer particles between 0.1 and 0.4 μm in diameter and a relatively increased prevalence of larger accumulation mode particles. In addition, supermicron particles tend to dominate total scattering in the ultraclean regime, and there is little evidence for absorbing aerosol. These observations are more in-line with a heavily scavenged but natural marine aerosol population and minimal contribution from continental sources such as anthropogenic pollution, biomass burning, or dust. The air masses with the consistently lowest accumulation mode aerosol number concentrations are largely dominated by heavily drizzling clouds with high liquid water path cores, deep decoupled boundary layers, open cellular organization, and notable surface forcing of subcloud turbulence, even at night.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2018

Temporal Coupling of Subsurface and Surface Soil CO 2 Fluxes: Insights From a Nonsteady State Model and Cross-Wavelet Coherence Analysis

Inferences about subsurface CO 2 fluxes often rely on surface soil respiration (R soil ) estimates because directly measuring subsurface microbial and root respiration (collectively, CO 2 production, S Total ), is difficult. To evaluate how well R soil serves as a proxy for S Total , we applied the nonsteady state DEconvolution of Temporally varying Ecosystem Carbon componenTs model (0.01-m vertical resolution), using 6-hourly data from a Wyoming grassland, in six simulations that cross three soil types (clay, sandy loam, and sandy) with two depth distributions of subsurface biota. We used cross-wavelet coherence analysis to examine temporal coherence (localized linear correlation) and offsets (lags) between S Total and R soil and fluxes and drivers (e.g., soil temperature and moisture). Cross-wavelet coherence revealed higher coherence between fluxes and drivers than linear regressions between concurrent variables. Soil texture and moisture exerted the strongest controls over coherence between CO 2 fluxes. Coherence between CO 2 fluxes in all soil types was strong at short (~1 day) and long periods (>8 days), but soil type controlled lags, and rainfall events decoupled the fluxes at periods of 1–8 days for several days in sandy soil, up to 1 week in sandy loam, and for a month or more in clay soil. Concentrating root and microbial biomass nearer the surface decreased lags in all soil types and increased coherence up to 10% in clay soil. The assumption of high temporal coherence between R soil and S Total is likely valid in dry, sandy soil, but may lead to underestimates of short-term STotal in semiarid grasslands with fine-grained and/or wet soil.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Single–Column Model Simulations of Subtropical Marine Boundary–Layer Cloud Transitions Under Weakening Inversions

Results are presented of the GASS/EUCLIPSE single-column model inter-comparison study on the subtropical marine low-level cloud transition. A central goal is to establish the performance of state-of-the-art boundary-layer schemes for weather and climate models for this cloud regime, using large-eddy simulations of the same scenes as a reference. A novelty is that the comparison covers four different cases instead of one, in order to broaden the covered parameter space. Three cases are situated in the North-Eastern Pacific, while one reflects conditions in the North-Eastern Atlantic. A set of variables is considered that reflects key aspects of the transition process, making use of simple metrics to establish the model performance. Using this method some longstanding problems in low level cloud representation are identified. Considerable spread exists among models concerning the cloud amount, its vertical structure and the associated impact on radiative transfer. Here, the sign and amplitude of these biases differ somewhat per case, depending on how far the transition has progressed. After cloud breakup the ensemble median exhibits the well-known “too few too bright” problem. The boundary layer deepening rate and its state of decoupling are both underestimated, while the representation of the thin capping cloud layer appears complicated by a lack of vertical resolution. Encouragingly, some models are successful in representing the full set of variables, in particular the vertical structure and diurnal cycle of the cloud layer in transition. An intriguing result is that the median of the model ensemble performs best, inspiring a new approach in subgrid parameterization.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

3D Tunable, Multiscale, and Multistable Vibrational Micro-Platforms Assembled by Compressive Buckling

Microelectromechanical systems remain an area of significant interest in fundamental and applied research due to their wide ranging applications. Most device designs, however, are largely 2D and constrained to only a few simple geometries. Achieving tunable resonant frequencies or broad operational bandwidths requires complex components and/or fabrication processes. The work presented here reports unusual classes of 3D micromechanical systems in the form of vibratory platforms assembled by controlled compressive buckling. Such 3D structures can be fabricated across a broad range of length scales and from various materials, including soft polymers, monocrystalline silicon, and their composites, resulting in a wide scope of achievable resonant frequencies and mechanical behaviors. Platforms designed with multistable mechanical responses and vibrationally decoupled constituent elements offer improved bandwidth and frequency tunability. Furthermore, the resonant frequencies can be controlled through deformations of an underlying elastomeric substrate. Systematic experimental and computational studies include structures with diverse geometries, ranging from tables, cages, rings, ring-crosses, ring-disks, two-floor ribbons, flowers, umbrellas, triple-cantilever platforms, and asymmetric circular helices, to multilayer constructions. These concepts form the foundations for engineering designs that complement those supported by conventional, micro-electromechanical systems, with capabilities that could be useful in systems for biosensing, energy harvesting, and others.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The Unified Electrochemical Band Diagram Framework: Understanding the Driving Forces of Materials Electrochemistry

Recent work that establishes a picture of the driving forces that govern material transformations and degradation in electrochemical environments to enable the ab initio design of electrochemical materials is highlighted. Select prototype systems are used to describe how the interplay between materials properties such as crystal field splitting, band edge energies, surface termination, material length scale, dielectric constant, and isoelectric point, and electrolyte properties such as pH and ion type, impacts electrochemical behavior - i.e., redox potentials, reaction enthalpies, reactivity, and decoupled ionic/electronic processes. Ab initio modeling of charged defects and intercalants within the grand canonical unified electrochemical band-diagram (UEB) framework is shown to enable the quantitative prediction of electrochemical materials behavior. UEB combines electrochemical theory, charged defect theory, and band diagram descriptions and can be used both for materials discovery and development. First, a pedagogical description of the UEB framework is presented, and then the application of this framework to reveal mechanisms for high rate electronic charge storage in cation incorporated α.-MnO 2 and λ-MnO 2 , high desalination efficiency of thin-film NaMn 4 O 8 , and the flat charge/discharge profile of FePO 4 is reviewed. Finally, new prospects for the application of the UEB framework to electrolyte design, interfacial engineering, and catalysis are suggested.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Metallo‐Hydrogel‐Assisted Synthesis and Direct Writing of Transition Metal Dichalcogenides

Abstract Two dimensional (2D) transition metal dichalcogenides (TMDCs) have attracted interest for their compelling nanoscale new properties and numerous potential applications including fast optoelectronic devices, ultrathin photovoltaics, and high‐performance catalysts. Large‐scale growth of uniform TMDC materials is essential for investigating their physics and for their integration into devices. However, the wafer scale deposition of TMDCs on arbitrary nonselective substrates is still beyond the current state‐of‐the‐art. In this article, a method to synthesize layered TMDCs (MoS 2 and WS 2 ) at the wafer‐scale by sulfurization of transition metal ions (Mo 5+ and W 6+ ) in a gelatin template (metallo‐hydrogel) is reported. This process is adaptable to versatile substrates, including amorphous silicon oxide, high‐temperature quartz, and silicon. Although the products are nominally few layer materials, direct band photoluminescent (≈1.8 eV), similar to single‐ or decoupled multilayer MoS 2 is observed. Finally, the solution‐based deposition enables contact printing of TMDC channels to be useable for device applications including thin film transistors with printed silver contacts using the same process.

Zang, Xining↗
DOE OSTI2023

On the Interplay between Size and Disorder in Suppressing Intercalation-Induced Phase Transitions in Pseudocapacitive Nanostructured MoS 2

Pseudocapacitors are an emerging class of energy storage materials that offer an attractive compromise between the energy density of batteries and power density of electric double-layer capacitors. Decreasing particle size and increasing surface area of battery materials is a common approach for introducing pseudocapacitive behavior and increasing power density. However, in many cases, as the crystal size is reduced, lattice disorder of unknown extent is also introduced, making it difficult to characterize the relative contribution of size and disorder to fast-charging performance. Here, in this work, a series of nanostructured MoS 2 materials are synthesized with different crystallite sizes and degrees of crystallinity to decouple the effects of size and disorder on charge/discharge kinetics. The extent and type of disorder in each material is quantified by total X-ray scattering experiments and pair distribution function analyses. Electrochemical characterization, including galvanostatic rate capability, cyclic voltammetry, and various kinetic analyses, are used to demonstrate that both decreasing particle size and introducing lattice disorder are effective strategies for increasing charge storage kinetics, and that the effects are additive. Finally, operando X-ray diffraction measurements show that both size and disorder can be used suppress first-order Li + intercalation-induced phase transitions, a key feature for enabling pseudocapacitive charge storage.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Universal Electronic‐Structure Relationship Governing Intrinsic Magnetic Properties in Permanent Magnets

An electronic-structure-centered perspective is presented on permanent-magnet (PM) design, highlighting two key levers, that is, saturation magnetization (M s ), governed by 3d-band filling and exchange physics, and magnetocrystalline anisotropy energy (MAE), arising from spin-orbit coupling (SOC) on anisotropic orbital populations. Reviewing current practices, including DFT-based MAE/J ij extraction, atomistic-spin and micromagnetic modeling, and high-throughput machine learning (ML) pipelines, three bottlenecks limiting predictive discovery is identified that is i) electronic-structure accuracy for small MAE (sensitive to functional choice, Hubbard U, and many-body effects), ii) finite-temperature and kinetic realism (phonon/magnon renormalization, ordering kinetics), and iii) descriptor and multiscale decoupling (lack of SOC-weighted and orbital-resolved fingerprints). Deep dives into the electronic-structure of Nd─Fe─B and Fe─N show how these fingerprints govern magnetic performance, motivating DFT- and quantum-mechanics-based descriptors for discovery. Unbiased, structure-driven exploration, coupled with high-throughput simulations, ML, generative AI, and reasoning models, accelerates candidate identification and propagates insights across scales. Addressing supply-chain risks, on future needs of designing “critical-element-free” magnets with tailored microstructure and high energy products is emphasized. By integrating electronic fingerprints, AI reasoning, and multiscale modeling, a practical roadmap is provided for rare-earth-lean or rare-earth free, high-performance, sustainable PMs.

Singh, Prashant [Ames Laboratory, and Iowa State U↗
DOE OSTI2024

A Pseudo‐Surfactant Chemical Permeation Enhancer to Treat Otitis Media via Sustained Transtympanic Delivery of Antibiotics

Abstract Chemical permeation enhancers (CPEs) represent a prevalent and safe strategy to enable noninvasive drug delivery across skin‐like biological barriers such as the tympanic membrane (TM). While most existing CPEs interact strongly with the lipid bilayers in the stratum corneum to create defects as diffusion paths, their interactions with the delivery system, such as polymers forming a hydrogel, can compromise gelation, formulation stability, and drug diffusion. To overcome this challenge, differing interactions between CPEs and the hydrogel system are explored, especially those with sodium dodecyl sulfate (SDS), an ionic surfactant and a common CPE, and those with methyl laurate (ML), a nonionic counterpart with a similar length alkyl chain. Notably, the use of ML effectively decouples permeation enhancement from gelation, enabling sustained delivery across TMs to treat acute otitis media (AOM), which is not possible with the use of SDS. Ciprofloxacin and ML are shown to form a pseudo‐surfactant that significantly boosts transtympanic permeation. The middle ear ciprofloxacin concentration is increased by 70‐fold in vivo in a chinchilla AOM model, yielding superior efficacy and biocompatibility than the previous highest‐performing formulation. Beyond improved efficacy and biocompatibility, this single‐CPE formulation significantly accelerates its progression toward clinical deployment.

Engineering↗
DOE OSTI2017

“Wiring” Fe-N x -Embedded Porous Carbon Framework onto 1D Nanotubes for Efficient Oxygen Reduction Reaction in Alkaline and Acidic Media

This study presents a novel metal-organic-framework-engaged synthesis route based on porous tellurium nanotubes as a sacrificial template for hierarchically porous 1D carbon nanotubes. Furthermore, an ultrathin Fe-ion-containing polydopamine layer has been introduced to generate highly effective FeN x C active sites into the carbon framework and to induce a high degree of graphitization. The synergistic effects between the hierarchically porous 1D carbon structure and the embedded FeN x C active sites in the carbon framework manifest in superior catalytic activity toward oxygen reduction reaction (ORR) compared to Pt/C catalyst in both alkaline and acidic media. A rechargeable zinc-air battery assembled in a decoupled configuration with the nonprecious pCNT@Fe@GL/CNF ORR electrode and Ni-Fe LDH/NiF oxygen evolution reaction (OER) electrode exhibits charge–discharge overpotentials similar to the counterparts of Pt/C ORR electrode and IrO 2 OER electrode.

1D nanotubes↗
DOE OSTI2019

High‐Throughput Growth of Microscale Gold Bicrystals for Single‐Grain‐Boundary Studies

Abstract The study of grain boundaries is the foundation to understanding many of the intrinsic physical properties of bulk metals. Here, the preparation of microscale thin‐film gold bicrystals, using rapid melt growth, is presented as a model system for studies of single grain boundaries. This material platform utilizes standard fabrication tools and supports the high‐yield growth of thousands of bicrystals per wafer, each containing a grain boundary with a unique <111> tilt character. The crystal growth dynamics of the gold grains in each bicrystal are mediated by platinum gradients, which originate from the gold–platinum seeds responsible for gold crystal nucleation. This crystallization mechanism leads to a decoupling between crystal nucleation and crystal growth, and it ensures that the grain boundaries form at the middle of the gold microstructures and possess a uniform distribution of misorientation angles. It is envisioned that these bicrystals will enable the systematic study of the electrical, optical, chemical, thermal, and mechanical properties of individual grain boundary types.

Gan, Lucia T.↗
DOE OSTI2021

Laser-Induced Cooperative Transition in Molecular Electronic Crystal

The competing and non-equilibrium phase transitions, involving dynamic tunability of cooperative electronic and magnetic states in strongly correlated materials, show great promise in quantum sensing and information technology. To date, the stabilization of transient states is still in the preliminary stage, particularly with respect to molecular electronic solids. Here, a dynamic and cooperative phase in potassium-7,7,8,8-tetracyanoquinodimethane (K-TCNQ) with the control of pulsed electromagnetic excitation is demonstrated. Simultaneous dynamic and coherent lattice perturbation with 8 ns pulsed laser (532 nm, 15 MW cm -2 , 10 Hz) in such a molecular electronic crystal initiates a stable long-lived (over 400 days) conducting paramagnetic state (≈42 Ωcm), showing the charge–spin bistability over a broad temperature range from 2 to 360 K. Comprehensive noise spectroscopy, in situ high-pressure measurements, electron spin resonance (ESR), theoretical model, and scanning tunneling microscopy/spectroscopy (STM/STS) studies provide further evidence that such a transition is cooperative, requiring a dedicated charge–spin–lattice decoupling to activate and subsequently stabilize nonequilibrium phase. Finally, the cooperativity triggered by ultrahigh-strain-rate (above 10 6 s -1 ) pulsed excitation offers a collective control toward the generation and stabilization of strongly correlated electronic and magnetic orders in molecular electronic solids and offers unique electro-magnetic phases with technological promises.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Direct Chemical Vapor Deposition Synthesis of Porous Single-Layer Graphene Membranes with High Gas Permeances and Selectivities

Single-layer graphene containing molecular-sized in-plane pores is regarded as a promising membrane material for high-performance gas separations due to its atomic thickness and low gas transport resistance. However, typical etching-based pore generation methods cannot decouple pore nucleation and pore growth, resulting in a trade-off between high areal pore density and high selectivity. In contrast, intrinsic pores in graphene formed during chemical vapor deposition are not created by etching. Therefore, intrinsically porous graphene can exhibit high pore density while maintaining its gas selectivity. Here in this work, the density of intrinsic graphene pores is systematically controlled for the first time, while appropriate pore sizes for gas sieving are precisely maintained. As a result, single-layer graphene membranes with the highest H 2 /CH 4 separation performances recorded to date (H 2 permeance > 4000 GPU and H 2 /CH 4 selectivity > 2000) are fabricated by manipulating growth temperature, precursor concentration, and non-covalent decoration of the graphene surface. Moreover, it is identified that nanoscale molecular fouling of the graphene surface during gas separation where graphene pores are partially blocked by hydrocarbon contaminants under experimental conditions, controls both selectivity and temperature dependent permeance. Overall, the direct synthesis of porous single-layer graphene exploits its tremendous potential as high-performance gas-sieving membranes.

chemical vapor deposition↗
DOE OSTI2022

Unraveling Thermodynamic and Kinetic Contributions to the Stability of Doped Nanocrystalline Alloys using Nanometallic Multilayers

Abstract Targeted doping of grain boundaries is widely pursued as a pathway for combating thermal instabilities in nanocrystalline metals. However, certain dopants predicted to produce grain‐boundary‐segregated nanocrystalline configurations instead form small nanoprecipitates at elevated temperatures that act to kinetically inhibit grain growth. Here, thermodynamic modeling is implemented to select the Mo–Au system for exploring the interplay between thermodynamic and kinetic contributions to nanostructure stability. Using nanoscale multilayers and in situ transmission electron microscopy thermal aging, evolving segregation states and the corresponding phase transitions are mapped with temperature. The microstructure is shown to evolve through a transformation at lower homologous temperatures (<600 °C) where solute atoms cluster and segregate to the grain boundaries, consistent with predictions from thermodynamic models. An increase in temperature to 800 °C is accompanied by coarsening of the grain structure via grain boundary migration but with multiple pinning events uncovered between migrating segments of the grain boundary and local solute clustering. Direct comparison between the thermodynamic predictions and experimental observations of microstructure evolution thus demonstrates a transition from thermodynamically preferred to kinetically inhibited nanocrystalline stability and provides a general framework for decoupling contributions to complex stability transitions while simultaneously targeting a dominant thermal stability regime.

25 ENERGY STORAGE↗
DOE OSTI2022

Tuning Organic Electrochemical Transistor Threshold Voltage using Chemically Doped Polymer Gates

Organic electrochemical transistors (OECTs) have shown promise as transducers and amplifiers of minute electronic potentials due to their large transconductances. Tuning the OECT threshold voltage is important to achieve low-powered devices with amplification properties within the desired operational voltage range. However, traditional design approaches have struggled to decouple channel and materials properties from threshold voltage, thereby compromising on several other OECT performance metrics, such as electrochemical stability, transconductance, and dynamic range. In this work, simple solution-processing methods are utilized to chemically dope polymer gate electrodes, thereby controlling their work function, which in turn tunes the operation voltage range of the OECTs without perturbing their channel properties. Chemical doping of initially air-sensitive polymer electrodes further improves their electrochemical stability in ambient conditions. Thus, OECTs that are simultaneously low-powered and electrochemically resistant to oxidative side reactions under ambient conditions are demonstrated. Furthermore, this approach shows that threshold voltage, which is once interwoven with other OECT properties, can in fact be an independent design parameter, expanding the design space of OECTs.

chemical doping↗
DOE OSTI2022

Large Exchange Coupling Between Localized Spins and Topological Bands in MnBi 2 Te 4

Magnetism in topological materials creates phases exhibiting quantized transport phenomena with potential technological applications. The emergence of such phases relies on strong interaction between localized spins and the topological bands, and the consequent formation of an exchange gap. However, this remains experimentally unquantified in intrinsic magnetic topological materials. Here, this interaction is quantified in MnBi 2 Te 4 , a topological insulator with intrinsic antiferromagnetism. This is achieved by optically exciting Bi-Te p states comprising the bulk topological bands and interrogating the consequent Mn 3d spin dynamics, using a multimodal ultrafast approach. Ultrafast electron scattering and magneto-optic measurements show that the p states demagnetize via electron-phonon scattering at picosecond timescales. Despite being energetically decoupled from the optical excitation, the Mn 3d spins, probed by resonant X-ray scattering, are observed to disorder concurrently with the p spins. Together with atomistic simulations, this reveals that the exchange coupling between localized spins and the topological bands is at least 100 times larger than the superexchange interaction, implying an optimal exchange gap of at least 25 meV in the surface states. Here, by quantifying this exchange coupling, this study validates the materials-by-design strategy of utilizing localized magnetic order to manipulate topological phases, spanning static to ultrafast timescales.

36 MATERIALS SCIENCE↗
DOE OSTI2022

ECRAM Materials, Devices, Circuits and Architectures: A Perspective

Abstract Non‐von‐Neumann computing using neuromorphic systems based on two‐terminal resistive nonvolatile memory elements has emerged as a promising approach, but its full potential has not been realized due to the lack of materials and devices with the appropriate attributes. Unlike memristors, which require large write currents to drive phase transformations or filament growth, electrochemical random access memory (ECRAM) decouples the “write” and “read” operations using a “gate” electrode to tune the conductance state through charge‐transfer reactions, and every electron transferred through the external circuit in ECRAM corresponds to the migration of ≈1 ion used to store analogue information. Like static dopants in traditional semiconductors, electrochemically inserted ions modulate the conductivity by locally perturbing a host's electronic structure; however, ECRAM does so in a dynamic and reversible manner. The resulting change in conductance can span orders of magnitude, from gradual increments needed for analog elements, to large, abrupt changes for dynamically reconfigurable adaptive architectures. In this in‐depth perspective, the history of ECRAM, the recent progress in devices spanning organic, inorganic, and 2D materials, circuits, architectures, the rich portfolio of challenging, fundamental questions, and how ECRAM can be harnessed to realize a new paradigm for low‐power neuromorphic computing are discussed.

Talin, A. Alec↗