Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “MEP system”

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.

33 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Atomistic determination of Peierls barriers of dislocation glide in nickel

The Peierls barrier measures the lattice resistance to dislocation glide in crystalline solids. We use the nudged elastic band (NEB) method to calculate the Peierls barriers for screw and edge dislocation glide in a face-centered cubic (FCC) metal of Ni. The minimum energy paths (MEPs) across single or sequential Peierls barriers are determined under shear loading. The NEB results show the decreasing Peierls barrier with increasing shear stress, giving the Peierls stress at which the Peierls barrier vanishes. The effects of boundary condition and system size on Peierls barriers are studied by comparing strain- and stress-controlled NEB results. Furthermore, the free-end NEB methods are applied to determine MEPs with improved computational efficiency. The NEB results are also used to evaluate the energetic driving force of dislocation glide, which is consistent with that determined from the Peach-Koehler force. The accuracy of the present NEB results based on an empirical interatomic potential is assessed by comparison with a machine-learning potential. This work demonstrates the robust and efficient quantification of Peierls barriers to dislocation glide in an FCC metal, and it lays a solid foundation for the atomistic determination of Peierls barriers in compositionally complex alloys with the FCC structure in future studies.

42 ENGINEERING↗
DOE OSTI2022

MEP pathway products allosterically promote monomerization of deoxy-D-xylulose-5-phosphate synthase to feedback-regulate their supply

Isoprenoids are a very large and diverse family of metabolites required by all living organisms. All isoprenoids derive from the double-bond isomers isopentenyl diphosphate (IPP) and dimethylallyl diphosphate (DMAPP), which are produced by the methylerythritol 4-phosphate (MEP) pathway in bacteria and plant plastids. It has been reported that IPP and DMAPP feedback-regulate the activity of deoxyxylulose 5-phosphate synthase (DXS), a dimeric enzyme that catalyzes the main flux-controlling step of the MEP pathway. Here we provide experimental insights into the underlying mechanism. Isothermal titration calorimetry and dynamic light scattering approaches showed that IPP and DMAPP can allosterically bind to DXS in vitro, causing a size shift. In silico ligand binding site analysis and docking calculations identified a potential allosteric site in the contact region between the two monomers of the active DXS dimer. Modulation of IPP and DMAPP contents in vivo followed by immunoblot analyses confirmed that high IPP/DMAPP levels resulted in monomerization and eventual aggregation of the enzyme in bacterial and plant cells. Loss of the enzymatically active dimeric conformation allows a fast and reversible reduction of DXS activity in response to a sudden increase or decrease in IPP/DMAPP supply, whereas aggregation and subsequent removal of monomers that would otherwise be available for dimerization appears to be a more drastic response in the case of persistent IPP/DMAPP overabundance (e.g., by a blockage in their conversion to downstream isoprenoids). Our results represent an important step toward understanding the regulation of the MEP pathway and rational design of biotechnological endeavors aimed at increasing isoprenoid contents in microbial and plant systems.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Integrating Maximum Entropy Production Theory and Machine Learning to Improve Global Evapotranspiration Modeling

Accurate estimation of terrestrial evapotranspiration (ET) is vital for understanding global water and energy cycles. However, current global ET estimations are not well constrained. This study introduces an integrated framework combining the Maximum Entropy Production (MEP) theory with Random Forest (RF) model to improve global ET estimation. Specifically, in contrast to direct ET estimation by the RF model, the integrated framework (MEP‐RF) trains to predict error of MEP‐simulated ET. MEP‐RF outperforms RF in spatiotemporal extrapolation. Attribution analysis with in situ observations reveals that the inputs of MEP are the most critical variables for the ET process, including net radiation, vegetated area, soil moisture, and surface temperature. We further drive MEP‐RF with global reanalysis and satellite data sets of these four inputs, yielding a global mean terrestrial ET of 548 mm/year, with 77% attributed to transpiration. The global ET increased at a rate of 0.85 mm/year per year during 2003–2021, primarily due to vegetation greening rather than rising temperature, while decreasing soil moisture led to decreasing regional ET. The integrated framework provides a novel approach for the estimation of global ET without the need for hard‐to‐obtain and thus uncertain inputs, such as wind speed, surface roughness, aerodynamic and canopy stomatal resistance. Therefore, MEP‐RF offers an independent method on existing global ET products. It represents a promising physically based approach that can be incorporated into Earth System Models to enhance water and energy cycle simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Metabolic Remodeling during Nitrogen Fixation in Zymomonas mobilis

Biofuels and bioproducts have the potential to serve as environmentally sustainable replacements for petroleum-derived fuels and commodity molecules. Advanced fuels such as higher alcohols and isoprenoids are more suitable gasoline replacements than bioethanol.

09 BIOMASS FUELS↗
DOE OSTI2025

Accelerating room air conditioner efficiency in India: Grid, economic, and policy implications through 2035

India is poised for a rapid surge in space cooling demand, driven by rising incomes, urbanization, and intensifying heat. Between 2025 and 2035, the country is expected to add 130–150 million new room air conditioners (ACs). If Minimum Energy Performance Standards (MEPS) continue to improve at the historical rate of 2–3 % annually, room ACs alone could contribute over 180 GW to peak electricity demand by 2035-nearly 30 % of the projected national total. This study evaluates the impact of an accelerated MEPS trajectory, proposing to raise the 1-star threshold to ISEER 5.0 by 2027, ISEER 6.3 by 2030, and ISEER 7.4 by 2033. Drawing on engineering cost analysis, stock turnover modeling, and retail pricing data, we find that this pathway could reduce peak demand by over 60 GW, save 118 TWh of electricity annually, avoid 49 MtCO₂ of electricity-related emissions per year, avert ₹7.5 trillion (∼US$85 billion) in power system investments, and yield ₹0.7–2.3 trillion (∼US$8–26 billion) in net consumer savings by 2035. Contrary to affordability concerns, empirical trends show that higher efficiency does not increase AC prices. These results highlight the value of ambitious MEPS as a cost-effective strategy for improving grid reliability, reducing emissions, and advancing consumer welfare in emerging economies.

Abhyankar, Nikit↗
DOE OSTI2024

Sustainable Public Transport: Providing Responsive, On-Demand Service with Clean Energy

The National Renewable Energy Laboratory (NREL) uses the Mobility Energy Productivity (MEP) as a metric and a lens to guide applied research into high performance public mobility. In the current initiative to abate global warming, the US needs not only zero-emission vehicles in the transit fleet (such as buses and shuttles) but also time- and cost-effective services to connect people with goods, services and employment toward a high-quality of life. Our current transportation system is overly dependent on personally-owned automobiles for high quality mobility, with public modes being less viable in many areas. Simply electrifying the drivetrains of existing public transit modes will fail to improve the quality of mobility for those that do not have access to private automobiles. The slow rebound by transit from the pandemic reveals the need to reinvent public transit service. Using the MEP lens, NREL researchers have tracked various novel developments in the public mobility space, with the confluence of shared, on-demand transit (ODT) services using light duty vehicles emerging as a key enabler of high-efficiency public mobility. Deployments such as those in Arlington, TX, Dallas, TX, Fort Erie, ON, and Innisfil, ON showcase the use of fleets of light-duty vehicles as the basis for community circulation and first/last mile to intra-regional transit. ODT services have demonstrated improvements in being more time efficient for riders, more energy efficient in operation (even before the introduction of fully electric vehicles), as well as being cost effective. It appears that aspects of the long-awaited promise of Personal Rapid Transit from the 1970s are beginning to be realized through ODT deployments, leveraging transportation network company (TNC) logistics, popularized by Uber and Lyft, but applied to public mobility. Currently, manually driven ODT operations are already cost competitive with traditional transit systems on a cost per ride basis, and full automation promises to reduce costs by 50% while providing additional safety and verified customer service. Connecting these ODT systems with efficient and effective intra-regional backbone transit service is the next step, with transit agencies like DART providing early results. This discussion will walk through the evidence for this postulated outcome and show results from a series of case-studies.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗
DOE OSTI2026

Direct Determination of 3C/4H Silicon Carbide Heterophase Interfaces by Electron Ptychography

Silicon carbide is a technologically relevant material that can exist in various structural polymorphs, each with its own electronic properties. Through the controlled growth of abrupt interfaces between the polymorphs, systems with emergent properties arise from differences in local bonding and stacking sequences. Determining the structure of these interfaces provides important insights into predicting and ultimately controlling their properties. Here, in this study, we use multislice electron ptychography (MEP) to qualitatively and quantitatively analyze interfaces between 3C and 4H silicon carbide in three dimensions. Two distinct interfaces are investigated: a coherent interface between $(1\bar{1}1)$ (3C) and $(0001)$ (4H) , and an incoherent interface between $(1\bar{1}2)$ (3C) and $(1\bar{1}00)$ (4H) . At the coherent interface, MEP enables direct quantification of a sharp boundary with an inclined step, whereas at the incoherent interface, local atomic displacements are determined along dislocation cores. By quantifying the spatial distribution and atomic-scale structure of these interfaces in three dimensions, this study provides insight into the complexity of silicon carbide heteropolytype interfaces, paving the way for theoretical modeling and the development of design rules to achieve desired properties.

heterophase interface↗
DOE OSTI2022

Micromobility Integrated Transit and Infrastructure for Efficiency (MITIE)

Nearly omnipresent in many cities of all sizes across the United States, micromobility vehicles-e-scooters, manual bicycles, e-bicycles, and larger seated electric scooters-are notably missing from SMART Mobility research. This project aims to expand the spectrum of modes currently being researched within SMART Mobility by exploring micromobility as an important tool toward meeting energy-efficient mobility goals. It expands on findings from SMART Mobility 1.0 that revealed preferences to reduce transportation-related expenses through use of a network of mobility-as-a-service (MaaS) and other shared mobility options, and builds on findings from a 2019 Vehicle Technology Analysis Program (VTAP) funded micromobility project conducted by our team. We will explore multiple facets of micromobility, including behavior and decision-making, the integration of micromobility within transportation infrastructure, energy estimates, and operations. Guiding research questions include: (1) What are the potential energy savings from low, medium, and high market penetration of micromobility (in passenger, multimodal, and freight domains)? (2) Which scenarios for micromobility use and related enablement of increased public transit use should be modeled/considered in the SMART 2.0 Workflow? (3) To what degree can micromobility supplement/complement transit system operations? (4) What are people's preferences towards micromobility? How do preferences vary across various sociodemographic segments? How can this knowledge inform operations? (5) What are optimal strategies to attain high user adoption and shift users toward more energy-efficient mode choices in terms of micromobility operation? How do these strategies affect energy savings, person-miles traveled, lifecycle energy use, and adoption rates? These questions will be addressed through applied research in five project emphasis areas: (1) Energy estimates of micromobility for Workflow scenarios: Expand and refine previous micromobility work to augment the Workflow approaches to modeling urban travel. (2) Multimodal connection with transit: Utilizing Mobility-Energy Productivity (MEP) tools to evaluate multimodal travel patterns enabled by micromobility, including assessing how to reduce barriers of inequity of access to mobility options and destinations. (3) Mode choice, induced demand, and infrastructure: Understanding the mode shift induced through micromobility to inform energy impact analysis. (4) Energy optimization of micromobility operations: Identification of micromobility operations parameters and development of operations scenarios to better understand present-day micromobility operations for integration into the Workflow, in partnership with BEAM and POLARIS modeling teams. (5) Micro-freight: Characterize the current state of micro-freight activities, including energy effects and geospatial analyses, to inform Workflow.

ADVANCED PROPULSION SYSTEMS,POWER TRANSMISSION AND↗
DOE OSTI2023

Micromobility Integrated Transit and Infrastructure for Efficiency (MITIE)

Nearly omnipresent in many cities of all sizes across the United States, micromobility vehicles-e-scooters, manual bicycles, e-bicycles, and larger seated electric scooters-are notably missing from SMART Mobility research. This project aims to expand the spectrum of modes currently being researched within SMART Mobility by exploring micromobility as an important tool toward meeting energy-efficient mobility goals. It expands on findings from SMART Mobility 1.0 that revealed preferences to reduce transportation-related expenses through use of a network of mobility-as-a-service (MaaS) and other shared mobility options, and builds on findings from a 2019 Vehicle Technology Analysis Program (VTAP) funded micromobility project conducted by our team. We will explore multiple facets of micromobility, including behavior and decision-making, the integration of micromobility within transportation infrastructure, energy estimates, and operations. Guiding research questions include: 1) what are the potential energy savings from low, medium, and high market penetration of micromobility (in passenger, multimodal, and freight domains)? 2) which scenarios for micromobility use and related enablement of increased public transit use should be modeled/considered in the SMART 2.0 Workflow? 3) to what degree can micromobility supplement/complement transit system operations? 4) what are people's preferences towards micromobility? How do preferences vary across various sociodemographic segments? How can this knowledge inform operations? 5) what are optimal strategies to attain high user adoption and shift users toward more energy-efficient mode choices in terms of micromobility operation? How do these strategies affect energy savings, person-miles traveled, lifecycle energy use, and adoption rates? These questions will be addressed through applied research in five project emphasis areas: 1) energy estimates of micromobility for Workflow scenarios: Expand and refine previous micromobility work to augment the Workflow approaches to modeling urban travel; 2) multimodal connection with transit: Utilizing Mobility-Energy Productivity (MEP) tools to evaluate multimodal travel patterns enabled by micromobility, including assessing how to reduce barriers of inequity of access to mobility options and destinations; 3) mode choice, induced demand, and infrastructure: Understanding the mode shift induced through micromobility to inform energy impact analysis; 4) energy optimization of micromobility operations: Identification of micromobility operations parameters and development of operations scenarios to better understand present-day micromobility operations for integration into the Workflow, in partnership with BEAM and POLARIS modeling teams; 5) micro-freight: Characterize the current state of micro-freight activities, including energy effects and geospatial analyses, to inform Workflow.

ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Mediated Electrochemical Probing: A Systems-Level Tool for Redox Biology

Biology uses well-known redox mechanisms for energy harvesting (e.g., respiration), biosynthesis, and immune defense (e.g., oxidative burst), and now we know biology uses redox for systems-level communication. Currently, we have limited abilities to “eavesdrop” on this redox modality, which can be contrasted with our abilities to observe and actuate biology through its more familiar ionic electrical modality. In this Perspective, we argue that the coupling of electrochemistry with diffusible mediators (electron shuttles) provides a unique opportunity to access the redox communication modality through its electrical features. Here, we highlight previous studies showing that mediated electrochemical probing (MEP) can “communicate” with biology to acquire information and even to actuate specific biological responses (i.e., targeted gene expression). We suggest that MEP may reveal an extent of redox-based communication that has remained underappreciated in nature and that MEP could provide new technological approaches for redox biology, bioelectronics, clinical care, and environmental sciences.

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

Mobility and Energy Improvements Realized through Prediction-based Vehicle Powertrain Control and Traffic Management (Research Performance Final Report)

The goal of this project was to utilize individual vehicle and systems-level transportation big data to develop real-world implementable techniques for energy efficiency. We collected a real world dataset in Fort Collins, CO using technology that is currently available. This dataset was used to (1) create individual vehicle prediction models and emissions models using cutting-edge artificial intelligence (AI) techniques, (2) create traffic prediction models, (3) create boundary condition constraints for optimal trajectory derivation, and (4) develop a novel Mobility Energy Productivity (MEP) model for Fort Collins, CO at a fidelity and flexibility which did not previously exist. Each of these techniques is novel but the most interesting results occurred from the intersection of all techniques. It was found that when optimal vehicle control is combined with optimal traffic light control, that significant energy efficiency improvements that do not compromise travel time are available.

42 ENGINEERING↗
DOE OSTI2026

Leveraging a synthetic biology approach to enhance BCG-mediated expansion of Vγ9Vδ2 T cells

There is an urgent need to develop a more efficacious anti-tuberculosis vaccine as the current live-attenuated vaccine strain BCG fails to prevent pulmonary infection in adults. In this study, we leverage a synthetic biology approach to engineer BCG to produce more (E)-4-hydroxy-3-methyl-but-2-enyl pyrophosphate (HMBPP), an intermediate of bacterial—but not host—isoprenoid biosynthesis via the methylerythritol phosphate (MEP) pathway. HMBPP strongly activates and expands Vγ9Vδ2 T cells, which are unique to higher-order primates and protect against Mycobacterium tuberculosis infection. BCG has been engineered to produce specific ligands and antigens to some success; in contrast, our strategy exploits a self-nonself recognition mechanism in the host via HMBPP sensing, which has not been attempted before. To inform the design of our recombinant strains, we performed synteny analyses of >63 mycobacterial species and found that isoprenoid biosynthetic genes are not operonic across all the 356 surveyed genomes, but some genes are frequently found in pairs. Thus, we generated synthetic loci with the goal of specifically overproducing HMBPP and tested the ability of these engineered strains to induce human Vγ9Vδ2 expansion in an in vitro stimulation assay. We found that BCG expressing a synthetic MEP locus significantly enhanced Vγ9Vδ2 T cell expansion over the wild-type vaccine strain, and overexpression of the HMBPP synthase GcpE alone potently induced Vγ9Vδ2 T cell expansion with no downregulation of other pathway genes. Together these engineered strains present two successful strategies to accumulate HMBPP and overcome feedback inhibition of the MEP pathway.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Force-Free Identification of Minimum-Energy Pathways and Transition States for Stochastic Electronic Structure Theories

Here, the accurate mapping of potential energy surfaces (PESs) is crucial to our understanding of the numerous physical and chemical processes mediated by atomic rearrangements, such as conformational changes and chemical reactions, and the thermodynamic and kinetic feasibility of these processes. Stochastic electronic structure theories, e.g., Quantum Monte Carlo (QMC) methods, enable highly accurate total energy calculations that in principle can be used to construct the PES. However, their stochastic nature poses a challenge to the computation and use of forces and Hessians, which are typically required in algorithms for minimum-energy pathway (MEP) and transition state (TS) identification, such as the nudged elastic band (NEB) algorithm and its climbing image formulation. Here, we present strategies that utilize the surrogate Hessian line-search method, previously developed for QMC structural optimization, to efficiently identify MEP and TS structures without requiring force calculations at the level of the stochastic electronic structure theory. By modifying the surrogate Hessian algorithm to operate in path-orthogonal subspaces and at saddle points, we show that it is possible to identify MEPs and TSs by using a force-free QMC approach. We demonstrate these strategies via two examples, the inversion of the ammonia (NH 3 ) molecule and the nucleophilic substitution (S N 2) reaction F – + CH 3 F → FCH 3 + F – . We validate our results using Density Functional Theory (DFT)- and Coupled Cluster (CCSD, CCSD(T))-based NEB calculations. We then introduce a hybrid DFT-QMC approach to compute thermodynamic and kinetic quantities, free energy differences, rate constants, and equilibrium constants that incorporates stochastically optimized structures and their energies, and show that this scheme improves upon DFT accuracy. Our methods generalize straightforwardly to other systems and other high-accuracy theories that similarly face challenges computing energy gradients, paving the way for highly accurate PES mapping, transition state determination, and thermodynamic and kinetic calculations at significantly reduced computational expense.

Iyer, Gopal R.↗
DOE OSTI2025

Energy efficiency in industrial drying: A hybrid ultrasonic system with a novel dynamic optimization framework

Drying processes are among the most energy-consuming operations in industrial and manufacturing settings, demanding strategic selection, design, and control for enhanced efficiency. Advancing drying technologies is critical for improving sustainability, lowering energy use, reducing carbon emissions, and minimizing waste. This study explores two innovative strategies aimed at transforming drying processes into sustainable, low-carbon systems by reducing energy consumption, minimizing waste, and maintaining a strong emphasis on preserving product quality. The first strategy showcases a sub-pilot scale hybrid ultrasonic-convective dryer for agrifood products. This technology, powered by electricity (process electrification), integrates non-thermal ultrasonic dehydration with convective heating and is presented as a sustainable and energy-efficient solution that enhances eco-friendly practices. The second strategy involves introducing and implementing a novel, multiobjective, mixed integer dynamic optimization technique to determine the optimal time-dependent process parameter values for the drying operation. This optimization technique yields operating conditions that are piecewise constant in time aiming to maximize the energy efficiency of the hybrid ultrasonic-convective dryer while ensuring strict adherence to product quality constraints. By adopting the hybrid ultrasonic-convective dryer, a notable 35% improvement in energy efficiency was achieved compared to conventional hot-air drying systems for drying apple slices. The proposed optimization framework further enhanced energy efficiency by nearly 14% over the most efficient process on the identical testbed, under static operating conditions. The reported enhancements have been experimentally validated. Regarding drying time (thereby improving production yield), the developed hybrid ultrasonic-convective dryer demonstrates as much as a 41% reduction in total processing time, which is further optimized by an additional 10% using our proposed optimization framework. The research outcomes have profound implications for the design and operation of drying systems, encompassing crucial aspects such as process electrification, cost-effectiveness, energy savings, time efficiency, product yield, product quality, and process automation.

Dynamic optimization↗
DOE OSTI2025

The mevalonate pathway of isoprenoid biosynthesis supports metabolic flexibility in Mycobacterium marinum

ABSTRACT Isoprenoids are a diverse class of natural products that are essential in all domains of life. Most bacteria synthesize isoprenoids through either the methylerythritol phosphate (MEP) pathway or the mevalonate (MEV) pathway, while a small subset encodes both pathways, including the pathogen Mycobacterium marinum (Mm). It is unclear whether the MEV pathway is functional in Mm, or why Mm encodes seemingly redundant metabolic pathways. Here, we show that the MEP pathway is essential in Mm, while the MEV pathway is dispensable in culture, with the ΔMEV mutant having no growth defect in axenic culture but a competitive growth defect compared to WT Mm. We found that the MEV pathway does not play a role in ex vivo or in vivo acute infection but does play a role in survival of peroxide stress. Metabolite profiling revealed that modulation of the MEV pathway causes compensatory changes in the concentration of MEP intermediates DOXP and CDP-ME, suggesting that the MEV pathway is functional and that the pathways interact at the metabolic level. Finally, the MEV pathway is upregulated early in the shift down to hypoxia, suggesting that it may provide metabolic flexibility to this bacterium. Interestingly, we found that our complemented strains, which vary in copy number of the polyprenyl synthetase idsB2 , responded differently to peroxide and UV stresses, suggesting a role for this gene as a determinant of downstream prenyl phosphate metabolism. Together, these findings suggest that MEV may serve as an anaplerotic pathway to make isoprenoids under stress conditions. IMPORTANCE Organisms from all domains of life utilize isoprenoids to carry out thousands of critical and auxiliary cellular processes, including signaling, maintaining membrane integrity, stress response, and host-pathogen interactions. The common precursor of all isoprenoids is synthesized via one of two biosynthetic pathways. Importantly, some bacteria encode both pathways, including M. marinum . We found that only one pathway is essential in M. marinum , while the nonessential pathway may confer metabolic flexibility to help the bacterium better adapt to various environmental conditions. We also found that the polyprenyl synthetase IdsB2 plays an important role in driving such phenotypes. Further, we demonstrate metabolic interplay between both functional pathways. These insights represent the first characterization of isoprenoid biosynthesis in dual pathway-encoding mycobacteria.

Qabar, Christine M. [Department of Plant and Micro↗