Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “feasibility”

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 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Simultaneous Improvements in Efficiency and Stability of Organic Solar Cells via a Symmetric‐Asymmetric Dual‐Acceptor Strategy

Abstract Simultaneously achieving improvements in power conversion efficiency (PCE) and stability is the main task of the current development stage of organic solar cells (OSCs). This work reports a symmetry–asymmetry dual‐acceptor (SADA) strategy to construct ternary devices, which is found to be feasible for increasing both the PCE and the operational lifetime of OSCs. In this contribution, the symmetric acceptor L8‐BO and the asymmetric acceptor BTP‐S9 are blended in equal proportions with polymer donor PM6 for the consideration of absorption spectrum complementarity and cascade energetic alignment. In addition, the features of crystallinity and miscibility of the dual‐acceptor deliver optimized morphology lead to a high PCE of 18.84%. In addition, the asymmetric acceptor BTP‐S9 with a larger dipole moment shows tighter molecular stacking and longer crystal correlation length, which favor intrinsic molecular photostability, and further consolidate the operational lifetime of OSCs when coordinated with L8‐BO. This work demonstrates the efficacy of the SADA strategy for constructing efficient and stable OSCs.

Chemistry↗
DOE OSTI2023

High-Entropy Surface Complex Stabilized LiCoO 2 Cathode

In this study, elevating the charge voltage of LiCoO 2 increases the energy density of batteries, which is highly enticing in energy storage implementation ranging from portable electronics to e-vehicles. However, hybrid redox reactions at high voltages facilitate oxygen evolution, electrolyte decomposition and irreversible phase change, and accordingly lead to rapid battery capacity decay. Here significantly improved high-voltage cycling stability of Mg-Al-Eu co-doped LiCoO 2 is demonstrated. It is found that element co-doping induces a near-surface high-entropy zone, including an innately thin disordered rock-salt shell and a dopant segregation surface. The high-entropy complex can effectively suppress oxygen evolution and near-surface structure deconstruction. The phase change reversibility between O3 and H1-3 and thermal stability of the cathode are greatly enhanced as well. As a result, the co-doped LiCoO 2 exhibits a remarkable cycling performance, retaining 86.3% and 72.0% of initial capacity over 800 and 2000 cycles, respectively, with a high cut-off voltage of 4.6 V. The feasible co-doping approach broadens the perspective for the development of stable lithium-ion batteries with high operating voltages.

25 ENERGY STORAGE↗
DOE OSTI2023

Prospective Application, Mechanism, and Deficiency of Lithium Bis(oxalate)Borate as the Electrolyte Additive for Lithium-Batteries

Lithium bis(oxalate)borate (LiBOB) is one of the most common film-forming electrolyte additives used in lithium ion batteries (LIBs), since it can form a dense boron-containing polymer as a solid electrolyte interlayer (or cathode electrolyte interlayer) in order to isolate the electrode material from the electrolyte and prevent side reactions. LiBOB can serve as HF scavenger to maintain the structural integrity of electrodes via avoiding the transition metal dissolution caused by HF attack. Additionally, LiBOB also can react with LiPF 6 to generate lithium difluoro (oxalate)borate (LiDFOB) that can be further used as a clean-up agent for reactive oxygen radicals. This article lists the application of LiBOB in high capacity and high voltage cathode materials, and also reviews the working mechanisms of LiBOB used in these materials to improve the performance of LIBs. Finally, it presents the current shortcomings of LiBOB and strategies to overcome these. This article is expected to provide useful insights for employing LiBOB as a feasible method of dealing with the difficulty of running high capacity LIBs stably under high voltage.

25 ENERGY STORAGE↗
DOE OSTI2023

Effect of the Nature of Both Cation and Anion Substitution on the Structural Symmetry of Li‐Rich 3 d ‐Metal Chalcogenide Electrodes

Abstract Li‐rich layered chalcogenides have recently led to better understanding of the anionic redox process and its associated high capacity while providing ways to overcome its practical limitations of voltage fade and irreversibility. This study reports on the feasibility of triggering anionic activity in Li 2 TiS 3 , through anionic substitution (Se for S) or cationic substitution (Fe for Ti). Herein, the chalcogenide chemical space is further explored to prepare mono‐substituted Li 1.7 Ti 0.85 Mn 0.45 Ch 3 (Ch = S/Se) and doubly substituted cationic and anionic phases (Li 1.7 Ti 0.85 Fe 0.45 S 3‐z Se z ) which crystallize either in the O3‐ or O1‐type structures depending upon substituents. All series show a bell‐shape capacity variation as function of the transition metal (TM) substitution degree with values up to 240 mAh g −1 . For specific compositions, a structural O3 to O1 phase transition is observed upon Li removal, which is not reversible upon Li re‐insertion due to kinetic limitations and negatively affects long‐term cycling performance. Density functional theory (DFT) calculations confirm the O3/O1 relative stability along the different series and point subtle electronic differences in the TM‐doping, rationalizing the structural and electrochemical behaviors of these phases upon cycling. These findings provide further insights into the link between structural and electronic stability, which is of key importance for designing chalcogenide‐based anionic redox compounds.

Chemistry↗
DOE OSTI2024

Regulating the Third Metal to Design and Engineer Multilayered NiFeM (M: Co, Mn, and Cu) Nanofoam Anode Catalysts for Anion-Exchange Membrane Water Electrolyzers

In this study, alkaline anion-exchange membrane water electrolyzers (AEMWEs) for green hydrogen production have received intensive attention due to their feasibility of using earth-abundant platinum group metal (PGM)-free catalysts. Herein, the third metal is incorporated into NiFe-based catalysts to regulate their electronic structures and morphologies, aiming to achieve sufficient oxygen evolution reaction (OER) activity and performance in AEMWEs. The ternary NiFeM (M: Cu, Co, or Mn) catalysts are featured with multiple layered structures and nanofoam network morphologies, consisting of highly OER-active amorphous Ni-rich oxide shells and electrically conductive metallic alloy cores. The physical and electronic perturbations to the NiFe induced by a third element lead to a fine-tuning of the redox ability of the metal sites at the reaction centers, which breaks the scaling relationship between OH* and O* intermediates at the reaction centers. Thus, the unique structural configuration and electronic regulation simultaneously benefit catalytic activity and performance improvements. These NiFeM nanofoam catalysts demonstrated promising anode performance in actual AEMWEs, comparable to the IrO 2 reference, especially at high current densities. Notably, using various electrolytes (e.g., KOH solution or pure water) for AEMWEs exhibited a different performance trend among studied NiFeM catalysts, likely due to dynamic changes of catalysts under various OER environments.

25 ENERGY STORAGE↗
DOE OSTI2025

Demonstration of Complete Recycling Processes of Reversible Epoxies Using Solar Energy Conversion

Reversible epoxies using the Diels–Alder chemistry enables recycling processes through depolymerizing the polymer at higher temperature and then repolymerizing upon cooling. Compared to conventional bulk heating, photothermal heating can save time and resource and, consequently, reduce costs to reach an elevated temperature for recycling processes of the reversible epoxies. In previous studies, self‐healing of cracks and reattachments of two broken pieces have been presented using a laser; however, recycling of a sample as a whole is not feasible by using such a point light source. Herein, complete recycling processes are demonstrated utilizing an area light source, i.e., sunlight. Reversible epoxies are incorporated with carbon black and refractory plasmonic titanium nitride nanoparticles (NPs). Under concentrated (10 times) sunlight, they can generate sufficient heat (≈140 °C) to completely liquefy, reprocess, and reshape the samples multiple times. Recycling processes are validated by evaluation of mechanical properties for each cycle. Using an integrated experimental and theoretical approach, photothermal performance is investigated in terms of the dispersion and loading of photothermal NPs in the matrix, as well as the sample thickness. In this study, an insight is provided into the design of polymer/photothermal nanomaterial composites which can be sustainably recycled using abundant solar energy.

14 SOLAR ENERGY↗
DOE OSTI2021

Simultaneously upgrading CO 2 and light alkanes into value-added products

We will discuss recent results from our group in reacting CO 2 and light alkanes to produce syngas, olefins, aromatics, and oxygenates. We will mainly use the simultaneous upgrading of CO 2 and ethane (SU-CO 2 Et) as examples to demonstrate the feasibility and reaction pathways of these processes. We will briefly discuss synthesis methods and essential structural characterization techniques that can be applied to SU-CO 2 Et catalysts. We will then illustrate how to identify and apply distinct active sites for different upgrading processes, using a combination of kinetic studies, in situ characterization, and density functional theory (DFT) calculations. We will conclude the Perspective by pointing out challenges and potential directions in catalyst design and synthesis, as well as structural characterization and mechanistic investigations, to further advance the simultaneous upgrading of CO 2 and light alkanes.

03 NATURAL GAS↗
DOE OSTI2022

Minimum reflux calculation for multicomponent distillation in multi‐feed, multi‐product columns: Mathematical model

Abstract Multi‐feed, multi‐product distillation columns are ubiquitous in multicomponent distillation systems. The minimum reflux ratio of a distillation column is directly related to its energy consumption and capital cost. Thus, it is a key parameter for distillation systems design, operation, and comparison. In this series, we present the first accurate shortcut based algorithmic method to determine the minimum reflux condition for any general multi‐feed, multi‐product (MFMP) distillation column separating any ideal multicomponent mixture. The classic McCabe‐Thiele or Underwood method is a special case of this general approach. Compared with existing techniques, this method does not involve any rigorous tray‐by‐tray calculation, nor does it require guessing of key components. In this first part of the series, we present the mathematical model for a general MFMP column, derive constraints for feasible separation and minimum reflux condition, discuss their geometric interpretations, and present an illustrative example to demonstrate the effectiveness of our approach.

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

Explicit model predictive control through robust optimization

A strategy that calculates an explicit state feedback policy to regulate constrained uncertain discrete‐time uncertain linear systems is presented. We consider uncertain processes, affected by box‐bounded multiplicative uncertainty as well as bounded additive uncertainty with linear state and inputs constraints. The proposed method includes (i) the calculation of a terminal set constraint and (ii) the robust reformulation of state constraints in the prediction horizon. These features allow the derivation of the desired policy by solving a single multiparametric quadratic programming problem that guarantees feasible operation in the presence of uncertainty. Additionally, we employ variable and constraint elimination approaches to enhance the computational performance of the strategy. We demonstrate the steps and benefits of these developments with a numerical example and a chemical engineering case study.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Direct air capture with amino acid solvent: Operational optimization using a crossflow air‐liquid contactor

Direct air capture (DAC) is a negative emission technology for removing CO2 from the atmosphere to maintain the CO 2 level within a reasonable range so as to address greenhouse effects. In this study, the operational optimization of lab-scale DAC has been investigated using a crossflow air-liquid contactor loaded with a three dimensionally printed Gyroid packing structure and a potassium sarcosinate solvent. The effects of various parameters, including feed air flow rate, liquid solvent flow rate, contactor geometry, and ambient temperature, are examined. The results demonstrate that the Gyroid packing design achieves comparable CO 2 capture performance to conventional packed beds but with a significantly lower pressure drop of up to 77.8%, suggesting its potential as an efficient and cost-effective solution for gas–liquid contactors in DAC. Additionally, the study explores the climate impact on CO 2 capture performance and finds that as the air temperature increases from 35 to 95°F at a fixed relative humidity of 80%, the CO 2 capture rate increased from 23.2% to 46.8% with better stability. The research highlights the importance of optimizing contactor design and operational conditions to improve the CO 2 capture rate and feasibility of DAC systems as a negative emission technology for addressing greenhouse effects.

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

Could the chemical industry mitigate rapid global cooling from a catastrophic volcanic eruption?

Abstract Estimates based on historical data place the probability of a catastrophic volcanic eruption in the next 100 years at around one in six. Large volcanic eruptions can lead to significant global cooling for 2–4 years, with potentially devastating impacts on global agriculture. In principle, the negative impacts of volcano‐induced cooling could be reduced by deliberate emission of short‐lived chemicals with high greenhouse gas intensity into the atmosphere. This article examines the physical feasibility of this concept for a wide range of short‐lived climate pollutants, using the global chemical industry for context. Deliberate emission of any known chemical species would require gigatons of material, which would have to be produced and stored far in advance of the volcanic event. The cost of this undertaking would be immense. In addition to these daunting logistical challenges, a range of other uncertainties and complications associated with this concept are discussed.

Sholl, David S. [University of Tennessee‐Oak Ridge↗
DOE OSTI2026

Toward Fully Soft and Multifunctional Shape Sensing via Optical Waveguide Arrays

For soft bodies, surface deformation and pressure provide proprioceptive and exteroceptive information, including body configuration, body compliance, and external forces. We develop a sheet sensor with a fully soft sensing surface that provides surface shape reconstruction using optical waveguide arrays. The waveguides are fabricated to achieve a tunable linear response to bi‐directional bending curvature, and the waveguide arrays are configured to differentiate between ambiguous shapes. We characterize the waveguide performance, relating curvature sensitivity to the core's surface roughness. Synergy of waveguide responses reduces the number of sensing elements required and achieves damage resilience. Using waveguide sensitivity to pressure, we also demonstrate feasibility for exteroception. We demonstrate the multifunctional sensing capability by wrapping the sheet around an upper arm, showcasing joint motion and external force sensing. Integrated into or applied onto surfaces of robotic or living systems, this design can be implemented in applications such as virtual reality, teleoperation, physical therapy, and soft robotics.

Yu, Qifan [Department of Mechanical Engineering Ma↗
DOE OSTI2022

Experimental validation of multiphysics model simulations of the thermal response of a cement clinker rotary kiln at laboratory scale

Abstract An increasing demand for buildings, transportation systems and civil infrastructure development has driven expansion of cement consumption world‐wide, producing a significant increase in related global energy demand. With approximately 7% of the world‐wide industrial energy consumption (10.7 exajoules [EJ]), the cement industry is the third most energy intensive industrial processes and a key component for concrete, the most consumed composite material in the global construction industry. In cement manufacturing, the cement kiln accounts for most of the energy consumption in the production process. As the heart of a cement plant, the cement kiln is where the kiln feed primarily containing calcium oxide (CaO), silica (SiO 2 ), alumina (Al 2 O 3 ), and iron (Fe 2 O 3 ) are thermally and chemically transformed into clinker minerals. The presented work developed a multiphysics model, designed and built a laboratory‐scale rotary cement clinker kiln, and produced cement clinker at laboratory‐scale. The model was developed to study the interaction between the various thermal, fluid dynamic and chemical interactions involved in the sintering process used to form Portland cement clinker in an effort to reduce energy use. The analytical model was validated through experimental testing using a unique laboratory‐scale rotary cement kiln developed during the investigation. Also demonstrated was the feasibility of producing clinker at laboratory scale. This modeling and lab scale tests were designed to better understand the clinker sintering process so that operational and quality decisions can be made to optimize energy consumption without compromising cement clinker quality. The computational fluid dynamics modeling was developed in COMSOL Multiphysics 6.0. The characteristics of the combustion fluid flow, concentration of species, temperature and heat transfer were studied for a turbulent flow of methane (CH 4 ) gas and oxygen (O 2 ). Theory suggests that heat transfer impacts the cement production process but the multiphysics model more accurately describes the convection, conduction, and radiant heat transfer in the kilning process and thus allows for a better understanding of the energy exchange driving the chemical reactions that produce Portland cement. Clinker minerals were formed because of appropriate burning conditions implemented during experimental model validation.

Tabares, Juan David↗
DOE OSTI2022

Additively manufactured cryogenic microchannel distillation device for air separation

Abstract The efficiency of air separation is tested using three different small‐scale cryogenic distillation columns. The performance of a random packed column is compared to the performance of two microchannel distillation (MCD) columns that use thin wicking structures and gas flow channels to achieve process intensification. The MCD columns tested include a plate‐type layered column and an additively manufactured porous honeycomb (AMPH) column. For columns with 25.4 cm of active height and run under similar conditions, the packed, plate‐type layering, and AMPH columns achieved approximate height equivalent of a theoretical plate (HETP) values of 5.5, 3.7, and 3.2 cm for nitrogen, and 5.9, 4.9, and 3.3 cm for argon. The AMPH column can produce up to 0.4 SLM of more than 90% purity oxygen with 12 W of cooling lift. These results demonstrate the feasibility of using additive manufacturing to construct MCD devices and pave a way for constructing novel MCD designs.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Exploration of Wire Array Metamaterials for the Plasma Axion Haloscope

A plasma haloscope has recently been proposed as a feasible approach to extend the search for dark matter axions above 10 GHz (≈40 μeV), whereby the microwave cavity in a conventional axion haloscope is supplanted by a wire array metamaterial. Since the plasma frequency of a metamaterial is determined by its unit cell, and is thus a bulk property, a metamaterial resonator of any frequency can be made arbitrarily large, in contrast to a microwave cavity which incurs a steep penalty in volume with increasing frequency. To assess the actual potential of this concept as a practical dark matter haloscope, the basic properties of wire array metamaterials have been investigated through an extensive series of S 21 measurements in the 10 GHz range. This report presents some new systematics of wire array metamaterials themselves including the approach to full plasmonic behavior, the applicability of the semianalytic theory of Belov, and estimates of the loss term which bode favorably for the plasmonic haloscope application. This present work constitutes the first precision test of the semianalytic theory of Belov et al., for which the predicted plasma frequency agrees with the experimental value at the 0.1% level.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Quantum‐Classical Simulation of Quantum Field Theory by Quantum Circuit Learning

Abstract Quantum circuit learning is employed to simulate quantum field theories (QFTs). Typically, when simulating QFTs with quantum computers, significant challenges are encountered due to the technical limitations of quantum devices when implementing the Hamiltonian using Pauli spin matrices. To address this challenge, quantum circuit learning is leveraged, employing a compact configuration of qubits and low‐depth quantum circuits to predict real‐time dynamics in quantum field theories. The key advantage of this approach is that a single‐qubit measurement can accurately forecast various physical parameters, including fully‐connected operators. To demonstrate the effectiveness of this method, it is used to predict quench dynamics, chiral dynamics and jet production in a 1+1‐dimensional model of quantum electrodynamics. It is found that our predictions closely align with the results of rigorous classical calculations, exhibiting a high degree of accuracy. This hybrid quantum‐classical approach illustrates the feasibility of efficiently simulating large‐scale QFTs on cutting‐edge quantum devices.

Ikeda, Kazuki [Department of Physics University of↗
DOE OSTI2020

The Critical Role of Reductive Steps in the Nickel-Catalyzed Hydrogenolysis and Hydrolysis of Aryl Ether C-O Bonds

Hydrogenolysis of the aromatic C-O bond in aryl ethers is catalyzed by Ni in decalin or water at 150 °C. Observations of a significant kinetic isotope effect (kH/kD = 5.7) for the reactions of diphenyl ether under H2 and D2 and a positive dependence of the rate on H2 chemical potential in decalin indicate that addition of H to the aromatic ring is the rate-limiting step rather than C-O scission. Hydrogen addition occurs on the metal before C-O bond scission. DFT calculations indicate that hydrogen atom addition to the ortho position followed by C-O scission is energetically more feasible than C-O scission followed by H addition to either phenoxyl or phenyl moieties. Hydrogenolysis initiated via H addition in water is more selective (~75 %) compared to reactions in decalin (~30 %). The high selectivity for hydrogenolysis is attributed to stabilization of polar transition state by water as a polar solvent.

Wang, Meng↗