SEARCH · Engineering Papers

Results for “Process Engineering”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,477 records · Page 82

All sources NASA NTRS DOE OSTI

DOE OSTI2023

Limitations of cetane number to predict transient combustion phenomena in high-pressure fuel sprays

Fundamental understanding of in-cylinder processes in diesel engines is important to screen emerging biofuels and advanced combustion modes that can reduce greenhouse gas emissions and regulated pollutants including soot. In this study, the role of fuel properties on spray development and combustion is investigated by systematically isolating chemical and thermophysical effects. Three different fuels are considered, two with similar chemical properties and two with similar thermophysical properties with one fuel common to both groups. Experiments are performed in a constant-pressure flow chamber de-signed to provide stable test conditions and facilitate acquisition of at least 150 injections in quick succession for each fuel under reacting conditions at high-pressure, high-temperature ambient conditions using a modified conventional diesel engine injector. Further, high speed optical diagnostics including rainbow schlieren deflectometry, OH* chemiluminescence, and a two-color pyrometry system are employed to simultaneously image the transient spray and reacting jets. Image analysis is performed to determine liquid length, vapor penetration length, timing and location of first stage and main ignition events, lift-off location, total soot mass, and more. Results show that fuels with similar chemical properties or cetane number (CN) exhibit similar delay times for first stage and main ignition events as may be expected, but very different liquid length, first stage and main ignition locations, lift-off length, apparent turbulent flame speed, and soot formation. As such, the ability to characterize candidate biofuels with CN or other parameters derived from simple flame configurations is called into question. In this study, thermo-physical properties controlling the liquid length are identified as the main contributing factor for the observed differences.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2018

Towards a greater understanding of serrated flows in an Al-containing high-entropy-based alloy

A serrated flow, which occurs in a material undergoing mechanical deformation, is a complex process of great engineering significance. Here statistical, dynamical, and multifractal modeling and analyses were performed on the stress-time series to characterize and model the stress-drop behavior of an Al 0.5 CoCrCuFeNi high-entropy alloy (HEA). Results indicate that the spatiotemporal dynamics of the serrated flow is affected by changes in the strain rate and test temperature. The sample entropy, in general, was found to be the highest in the samples tested at 500°C. The higher complexity in the serrated flow at this temperature appeared to be associated with the stress-drop behavior that had intermediate values in terms of the maximum stress drop, the multifractality of the data set, and the histogram distributions. Moreover, the sample entropy was the lowest for the samples tested at 600 °C. The lower complexity values were associated with a wider multifractal spectrum and a less uniform and sparser distribution of the stress-drop magnitudes. In terms of the serration types, Type-C serrations were related to the lowest complexity values, widest multifractal spectra, and higher probability of exhibiting larger stress drops. Conversely, Type-A and B serrations were associated with the higher complexity, narrower spectra, and lower probability of higher stress drops. In conclusion, the body-centered-cubic (BCC) structure and the fully-ordered L1 2 nano-particles were found to emerge in the samples at 600°C and are thought to be linked to the decreased spatiotemporal correlations in the stressdrop behavior.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Water additives improve the efficiency of violet perovskite light-emitting diodes

High external quantum efficiencies (EQEs) have been achieved for blue, green, red, and near-infrared perovskite light-emitting diodes (PeLEDs), and their energy efficiencies are approaching the efficiencies of III-V-based LEDs. Beyond the visible regime, ultraviolet light offers great promise for many applications such as disinfection. However, PeLEDs demonstrate poor performance in the violet/ultraviolet region, with reports of violet PeLED performance hindered by poor thin-film quality. In this work, we improve the uniformity of perovskite films by adding water into the precursor solution to engineer the crystallization process of spin-coated 2D perovskites. The resulting improved film uniformity, coupled with the reduction in nanoplate size, reduces leakage current and promotes faster recombination rates. The fabricated PeLEDs deliver bright violet emission at 408 nm with a maximum external quantum efficiency of 0.41%, a 5-fold increase over control devices. Furthermore, this work demonstrates viable steps toward cost-effective, efficient ultraviolet PeLEDs.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Ink-substrate interactions during 3D printing revealed by time-resolved coherent X-ray scattering

Additive printing techniques are regarded as revolutionary and versatile methods of advanced device manufacturing, stemming from the possibility to pattern materials on a custom-based approach and the potential to create novel microstructures and achieve new functionalities. Despite these advantages, the inherent anisotropy of the printing process is a source of property gradients within the printed materials, often associated with variable and/or poor performance. Up to date, the evolutionary pathways associated with printing have largely remained unaddressed, mainly owing to the difficulty to study the transformations induced in the material during processing. Time-resolved coherent X-ray scattering techniques, such as X-ray photon correlation spectroscopy, enable the in situ study of transient nanoscale and mesoscale states in a large variety of materials, including amorphous ones, by directly accessing the most relevant timescales and length scales of their nanoscale and mesoscale dynamics, self-assembly, and mesostructure evolution. In this work, we conduct in operando studies of continuous-flow direct writing with colloidal inks, focusing on how the ink formulation and ink-substrate interactions affect the processes that determine the macroscopic properties of the printed materials. We find fundamental differences in the ink structural relaxations emerging from the primary colloid properties (monodisperse versus aggregated colloids) and the substrates surface energy and mechanical properties. Our work helps to reveal and quantify the basic science governing the evolution of 3D-printed materials during processing, ultimately improving engineering criteria for the design of printable materials.

36 MATERIALS SCIENCE↗

DOE OSTI2019

Effect of Moisture on Dopant Segregation in Solid Hosts

Transition metal-doped semiconductor materials are extensively employed for light harvesting and photocatalytic applications owing to their increased light absorption and charge mobility. Here, spatial tailoring of the Ni dopant in TiO 2 nanostructures is performed by varying the secondary processing parameters to engineer the resulting optoelectronic properties for select applications. Specifically, the aging of the dried Ti sol and the resulting Ni segregation are observed to be moisture-driven phenomena based on the infrared and time-resolved UV–vis spectroscopy measurements. While X-ray diffraction and scanning transmission electron microscopy coupled with electron energy-loss spectroscopy characterizations show a clear difference in the crystal structures between pristine TiO 2 powders and phase-segregated NiO–TiO 2 , the thermogravimetric measurements reveal substitution of the ethoxy group by ambient moisture, resulting in the ejection of hydroxylated Ni clusters. Moreover, the doped system could be locked into a metastable state by rapidly annealing the amorphous powders. Lastly, the photocatalytic activity of these different TiO 2 :Ni 2+ (15 mol %) nanoparticles under AM 1.5G solar light highlights the relationship between the photocatalytic activity and the dopant position. This ability to spatially control dopants within highly doped materials allows for direct control of specific optoelectronic properties, paramount for photoelectrochemical devices.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2021

Electrochemically Engineered, Highly Energy-Efficient Conversion of Ethane to Ethylene and Hydrogen below 550 °C in a Protonic Ceramic Electrochemical Cell

Ethylene is one of the largest building blocks in the petrochemical industry, mainly produced by steam cracking of ethane derived from naphtha or shale gas at high temperatures (>800 °C). Despite its technical maturity and economic competitiveness, the thermal steam cracking of ethane is highly energy-intensive. In this work, an electrochemically engineered direct conversion process of ethane to produce hydrogen and ethylene using a planar protonic ceramic membrane reactor with a bi-functional three-dimensional catalytic electrode is reported, with a single-pass ethane conversion of 40% and ethylene yield of 26.7% at 550 °C. Compared with the industrial ethane steam cracking, this method saves process energy input by 45.1% and improves process energy efficiency by 50.6%, based on comprehensive process simulation using Aspen Plus software. Further, steam electrolysis treatment under the solid oxide electrolysis cell mode can regenerate the system’s catalytic performance and significantly alleviate catalytic degradation by 74%, demonstrating high techno-economic viability.

bi-functional electrode↗

DOE OSTI2019

Light Induced Interfacial Phenomena in Atomically thin 2D Van der Waals Material Hybrids and Heterojunctions

Atomically thin 2D van Der Waals (2D-vDW) materials have attracted significant attention for optoelectronic applications in photodetectors, photovoltaics, quantum information science. Their atomically thin thickness, however, renders them poor absorbers. Hybrid structures of 2D-vDW materials assembled with other semiconducting materials, such as quantum dots, nanowires, polymers, other 2D-vDW materials or 3D bulk materials, have provided an elegant way to increase light harvesting and carrier generation via interfacial charge and energy transfer interactions. Here we present recent examples focused on the characterization of interfacial charge transfer and energy transfer in 2D-vDW hybrids and heterostructures and methods to modulate and control these processes through bandgap engineering, morphology engineering and external factors. Lastly, we discuss potential future directions of research, including scalability from micron-sized flake-based devices to wafer size for commercial deployment, issues with long term stability and performance and the ability to extend the spectral range of these 2D hybrids.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2020

The Role of Machine Learning in the Understanding and Design of Materials

Developing algorithmic approaches for the rational design and discovery of materials can enable us to systematically find novel materials, which can have huge technological and social impact. However, such rational design requires a holistic perspective over the full multistage design process, which involves exploring immense materials spaces, their properties, and process design and engineering as well as a techno-economic assessment. The complexity of exploring all of these options using conventional scientific approaches seems intractable. Instead, novel tools from the field of machine learning can potentially solve some of our challenges on the way to rational materials design. Here we review some of the chief advancements of these methods and their applications in rational materials design, followed by a discussion on some of the main challenges and opportunities we currently face together with our perspective on the future of rational materials design and discovery.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Two-Phase Fluid Flow Properties of Rough Fractures With Heterogeneous Wettability: Analysis With Lattice Boltzmann Simulations

Fractures are conduits for fluid flow in low-permeability geological formations. Multiphase flow properties of fractures are important in natural processes and in engineering applications such as the evaluation of the sealing capacity of caprocks and productivity of hydrocarbon-bearing tight rocks. Investigations of flow and transport through fractures typically focus on the effects of fracture geometric and mechanical factors such as aperture, roughness, and compressibility. The wettability of the fracture surfaces and its influence on microscale interfacial phenomena and macroscale effective transport properties are seldom studied. In this study, we investigated the effect of heterogeneous wetting properties on the displacement of water by supercritical CO2 through a series of lattice Boltzmann method simulations. The results show the evolution of the CO2 plume within a fracture is controlled by both the roughness of the aperture field and the wetting distribution. We combined these factors into a capillary pressure map that can be related to the macroscopic flow behavior of the fracture. We observed that heterogeneous wetting distributions promote the residual trapping of water where lower capillary pressures allowed for isolated water pockets in higher capillary pressure zones. Analysis of fracture unsteady relative permeability shows the effect of wetting on permeability evolution and provides support for the viscous-coupling relative permeability model. Finally, analysis of the steady-state relative permeability and saturation demonstrates a strong correlation between permeability and the standard deviation of the capillary pressure field. Thus, characterizing the distribution of wetting properties of fractures is crucial to understanding multiphase fracture flow and transport properties.

58 GEOSCIENCES↗

DOE OSTI2024

A holistic platform for accelerating sorbent-based carbon capture

Abstract Reducing carbon dioxide (CO 2 ) emissions urgently requires the large-scale deployment of carbon-capture technologies. These technologies must separate CO 2 from various sources and deliver it to different sinks 1,2 . The quest for optimal solutions for specific source–sink pairs is a complex, multi-objective challenge involving multiple stakeholders and depends on social, economic and regional contexts. Currently, research follows a sequential approach: chemists focus on materials design 3 and engineers on optimizing processes 4,5 , which are then operated at a scale that impacts the economy and the environment. Assessing these impacts, such as the greenhouse gas emissions over the plant’s lifetime, is typically one of the final steps 6 . Here we introduce the PrISMa (Process-Informed design of tailor-made Sorbent Materials) platform, which integrates materials, process design, techno-economics and life-cycle assessment. We compare more than 60 case studies capturing CO 2 from various sources in 5 global regions using different technologies. The platform simultaneously informs various stakeholders about the cost-effectiveness of technologies, process configurations and locations, reveals the molecular characteristics of the top-performing sorbents, and provides insights on environmental impacts, co-benefits and trade-offs. By uniting stakeholders at an early research stage, PrISMa accelerates carbon-capture technology development during this critical period as we aim for a net-zero world.

Science & Technology - Other Topics↗

DOE OSTI2014

Decision making based on optical excitation transfer via near-field interactions between quantum dots

Optical near-field interactions between nanostructured matters, such as quantum dots, result in unidirectional optical excitation transfer when energy dissipation is induced. This results in versatile spatiotemporal dynamics of the optical excitation, which can be controlled by engineering the dissipation processes and exploited to realize intelligent capabilities such as solution searching and decision making. Here, we experimentally demonstrate the ability to solve a decision making problem on the basis of optical excitation transfer via near-field interactions by using colloidal quantum dots of different sizes, formed on a geometry-controlled substrate. We characterize the energy transfer behavior due to multiple control light patterns and experimentally demonstrate the ability to solve the multi-armed bandit problem. Our work makes a decisive step towards the practical design of nanophotonic systems capable of efficient decision making, one of the most important intellectual attributes of the human brain.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2016

Demonstration of acoustic waveguiding and tight bending in phononic crystals

The systematic design, fabrication, and characterization of an isolated, single-mode, 90° bend phononic crystal (PnC) waveguide are presented. A PnC consisting of a 2D square array of circular air holes in an aluminum substrate is used, and waveguides are created by introducing a line defect in the PnC lattice. A high transmission coefficient is observed (–1 dB) for the straight sections of the waveguide, and an overall 2.3 dB transmission loss is observed (a transmission coefficient of 76%) for the 90° bend. Further optimization of the structure may yield higher transmission efficiencies. Lastly, this manuscript shows the complete design process for an engineered 90° bend PnC waveguide from inception to experimental demonstration.

36 MATERIALS SCIENCE↗

DOE OSTI2021

CFD Evaluation of Pressure Change Along Coolant Passages in Sodium-Cooled Fast Reactor with Nek5000

To support the design efforts of advanced sodium-cooled fast reactors (SFRs), a series of computational fluid dynamics (CFD) simulations are performed to investigate the pressure change along various flow passages in the proposed SFR system. The simulations are carried out with the state-of-the-art spectral element flow solver, Nek5000. Two specific case studies are presented in this paper: the flow exiting the axial neutron reflector channels and the flow entering the fuel pin bundle. Due to the high Reynolds numbers expected, a Reynolds-averaged Navier-Stokes (RANS) approach is necessary to model the turbulence. A newly developed regularized k-omega RANS model is adopted in the related CFD calculations. The first case study explores the effect of Reynolds number on the pressure change when flow exits the reflector channels. The pressure change in this case has two major contributors: the change due to wall friction and the Bernoulli effect. It is noted that the nondimensional pressure loss follows a log-linear trend up to Re = 10 5 , and then the trend is flattened. In the second case study, the advanced NekNek coupling capability is tested where an integral domain can be divided into multiple subdomains with coupling interfaces, which would greatly ease the meshing process of complex engineering geometries and potentially save computational resources. The preliminary results obtained so far confirm the consistency between the NekNek results and those produced by regular Nek5000 simulation. The presented work demonstrates the readiness and flexibility of the related CFD techniques, which is part of the broader effort to leverage cutting-edge CFD to inform the advanced nuclear reactor designs.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2026

LBNF/DUNE Liquid Argon Roadmap

The Deep Underground Neutrino Experiment (DUNE) is an international flagship venture to unlock the mysteries of neutrinos. Hosted at the Sanford Underground Research Facility (SURF) and supported by the Long-Baseline Neutrino Facility (LBNF), DUNE relies on nearly 75,000 tonnes of ultrapure liquid argon (LAr) housed in state-of-the-art cryostats. Transporting such vast quantities of LAr to its destination a mile underground in Lead, SD, is a logistical and engineering challenge. The process begins with securing large quantities of liquid argon from suppliers located far from the site, with major sources situated near Houston, TX and Chicago, IL. The receiving facility, located atop a mountain with steep, often snow-covered access roads, provides limited maneuverability for trucks and can only handle two deliveries simultaneously. The facility serves as an entry point for argon to the greater LBNF cryogenic system. It is furnished with truck unloading stations, limited buffer storage of some 280 tonnes capacity, and vaporizers. The last are crucial for converting liquid argon into gas for transfer down the Ross Shaft, eliminating the need for cryogens in the vertical pipeline. These constraints, along with other operational factors, cap the delivery rate at 70 tonnes per day. Once underground, the argon is purified and recondensed before filling the cryostats. This roadmap outlines the integrated supply chain and cryogenic systems that enable the delivery of LAr to support DUNE’s groundbreaking physics research.

Maciazka, Matt [Fermilab]↗

DOE OSTI2026

Synthetic soils for ecological and synthetic biology applications

Soils are heterogeneous and dynamic systems characterized by complex physical, chemical, and biological interactions. Understanding these interactions is critical, as they influence plant productivity, global biogeochemical cycles, and ecosystem resilience. While ecologists have long studied soils in field, greenhouse, and laboratory settings, their complexity and heterogeneity make it challenging to pinpoint key properties driving biological processes and derive mechanistic insights. Advancements in synthetic biology, which seeks to engineer and control biological processes in soils, have increased the demand for standardized and controllable experimental platforms. These platforms, referred to here as ‘synthetic soils’, are systems designed to reproduce selected physicochemical characteristics of natural soils in a simplified and defined format, allowing scientists to systematically change soil physicochemical properties (i.e. texture, mineralogy, pH) to study how biological components (i.e. microbes, plants, soil fauna, etc.) respond to, modify, or interact within these controlled environments. This review explores existing synthetic soils, their advantages, limitations, and applications in ecology and synthetic biology, and discusses potential directions for their future development.

artificial soils↗

DOE OSTI2024

Specialization Restricts the Evolutionary Paths Available to Yeast Sugar Transporters

Functional innovation at the protein level is a key source of evolutionary novelties. The constraints on functional innovations are likely to be highly specific in different proteins, which are shaped by their unique histories and the extent of global epistasis that arises from their structures and biochemistries. These contextual nuances in the sequence–function relationship have implications both for a basic understanding of the evolutionary process and for engineering proteins with desirable properties. Here, we have investigated the molecular basis of novel function in a model member of an ancient, conserved, and biotechnologically relevant protein family. These Major Facilitator Superfamily sugar porters are a functionally diverse group of proteins that are thought to be highly plastic and evolvable. By dissecting a recent evolutionary innovation in an α-glucoside transporter from the yeast Saccharomyces eubayanus, we show that the ability to transport a novel substrate requires high-order interactions between many protein regions and numerous specific residues proximal to the transport channel. To reconcile the functional diversity of this family with the constrained evolution of this model protein, we generated new, state-of-the-art genome annotations for 332 Saccharomycotina yeast species spanning ~400 My of evolution. By integrating phylogenetic and phenotypic analyses across these species, we show that the model yeast α-glucoside transporters likely evolved from a multifunctional ancestor and became subfunctionalized. The accumulation of additive and epistatic substitutions likely entrenched this subfunction, which made the simultaneous acquisition of multiple interacting substitutions the only reasonably accessible path to novelty.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Investigating the eco‐evolutionary response of microbiomes to environmental change

Abstract Microorganisms are the primary engines of biogeochemical processes and foundational to the provisioning of ecosystem services to human society. Free‐living microbial communities (microbiomes) and their functioning are now known to be highly sensitive to environmental change. Given microorganisms' capacity for rapid evolution, evolutionary processes could play a role in this response. Currently, however, few models of biogeochemical processes explicitly consider how microbial evolution will affect biogeochemical responses to environmental change. Here, we propose a conceptual framework for explicitly integrating evolution into microbiome–functioning relationships. We consider how microbiomes respond simultaneously to environmental change via four interrelated processes that affect overall microbiome functioning (physiological acclimation, demography, dispersal and evolution). Recent evidence in both the laboratory and the field suggests that ecological and evolutionary dynamics occur simultaneously within microbiomes; however, the implications for biogeochemistry under environmental change will depend on the timescales over which these processes contribute to a microbiome's response. Over the long term, evolution may play an increasingly important role for microbially driven biogeochemical responses to environmental change, particularly to conditions without recent historical precedent.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2014

WE-A-17A-09: Exploiting Electromagnetic Technologies for Real-Time Seed Drop Position Validation in Permanent Implant Brachytherapy

Purpose: To report on preliminary results validating the performance of a specially designed LDR brachytherapy needle prototype possessing both electromagnetic (EM) tracking and seed drop detection abilities. Methods: An EM hollow needle prototype has been designed and constructed in collaboration with research partner Philips Healthcare. The needle possesses conventional 3D tracking capabilities, along with a novel seed drop detection mechanism exploiting local changes of electromagnetic properties generated by the passage of seeds in the needle's embedded sensor coils. These two capabilities are exploited by proprietary engineering and signal processing techniques to generate seed drop position estimates in real-time treatment delivery. The electromagnetic tracking system (EMTS) used for the experiment is the NDI Aurora Planar Field Generator. The experiment consisted of dropping a total of 35 seeds in a prismatic agarose phantom, and comparing the 3D seed drop positions of the EMTS to those obtained by an image analysis of subsequent micro-CT scans. Drop position error computations and statistical analysis were performed after a 3D registration of the two seed distributions. Results: Of the 35 seeds dropped in the phantom, 32 were properly detected by the needle prototype. Absolute drop position errors among the detected seeds ranged from 0.5 to 4.8 mm with mean and standard deviation values of 1.6 and 0.9 mm, respectively. Error measurements also include undesirable and uncontrollable effects such as seed motion upon deposition. The true accuracy performance of the needle prototype is therefore underestimated. Conclusion: This preliminary study demonstrates the potential benefits of EM technologies in detecting the passage of seeds in a hollow needle as a means of generating drop position estimates in real-time treatment delivery. Such tools could therefore represent a potentially interesting addition to existing brachytherapy protocols for rapid dosimetry validation. Equipments and fundings for this project were provided by Philips Medical.

62 RADIOLOGY AND NUCLEAR MEDICINE↗