Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “maturation”

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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

Thermal Protection System to Enable Ice Giant Aerocapture Mission for Delivering Both an Orbiter and an In Situ Probe

The Ice Giants have been identified as high priority science destinations in the last Decadal Survey [1] and could benefit from aerocapture as the primary method for orbit insertion [2]. A mass-efficient aerocapture system will enable the delivery of an orbiter along with an atmospheric probe (for in situ measurements to anchor global data collected by the orbiter) and possibly a lander at Triton [3]. Aerocapture could be executed either using low L/D rigid aeroshell with lift modulation (LMA) [4] or using deployable aeroshell using drag modulation (DMA) [3]. Nearly two decades ago, a NASA-funded team performed Neptune-Triton aerocapture studies with a mid-L/D lifting configuration [5] for achieving orbit using LMA. This study showed aerocapture challenges. Due to very high peak entry conditions combined with very high heat-load, a suite of TPS materials was required and this suite was deemed problematic from a qualification perspective, due test facility limitations. In the past 20 years, progress made in GN&C for lift-guided entry missions such as MSL, Orion EFT1, Mars 2020 and the upcoming Artemis missions, and the expertise in blunt body aerodynamics at large scale (~ 5m) has led the EDL community to conclude that aerocapture is a “go do” engineering activity and most technologies are in hand to propose missions with aerocapture [6] [7]. Aerocapture using DMA, currently in development, is an option for Ice Giant Missions. While DMA is simpler in some sense, due to ballistic entry and no need for lift-guided maneuvering, it has challenges and it’s maturity is lower. LMA and DMA both require one or more ablative Thermal Protection System (TPS) materials for the rigid aeroshell element. The ablative TPS needs to be robust and mass efficient due to the high heat loads and size of the rigid aeroshell. Currently, there are capable ablative thermal protection materials, e.g., Heatshield for Extreme Entry Environments Technology (HEEET), 3-D woven Mid-Density Carbon- Phenolic (3MDCP), and PICA (Phenolic-Impregnated Carbon Ablator) that are mature, i.e., at TRL 6 or higher. NASA also invested in Conformal PICA that was matured to TRL 5. Our goal is to evaluate the applicability of high TRL TPS and consider other design options. We first establish bounding aerocapture trajectories for a wide range of arrival conditions and the associated aerothermal environment. Based on the environments, we then determine the predicted TPS mass for the aeroshell [4]. In this presentation, we will outline the process by which we establish bounding aerocapture trajectories for hyperbolic excess velocities ranging from 27 km/s to 35 km/s, which are shown to be a range of velocities that can reduce the trip time from ~14 years to 8 years. The above velocity range translates to ~12 km/s to ~24 km/s arrival velocities at the planetary entry interface [2]. The velocity reduction required to achieve orbit ranges between ~2.5 km/s to 9.5 km/s for both Neptune and Triton. Propulsive insertion alone, due to the amount of fuel required to achieve the required velocity reduction, limits the science returned [2]. We establish the bounding aerocapture trajectories for a low L/D (~ 0.4) configuration for three different ballistic coefficients. The ballistic coefficient range is determined from three different aeroshell diameters of 3m, 4m and 5m and with an entry system mass of 2200 kg. With the above range of design parameters, we then determine conservative/bounding estimates of aerothermal environments by using a combination of CFD simulations and stagnation point heating estimates [7]. This engineering approach allows us to first assess the TPS need vs. TPS capability and determine the applicability of existing TPS. Once an applicable suite of TPS is determined, the TPS thickness and mass are computed. We show that the TPS mass fraction can be as low as 5% to as high as 20%, depending on total trip time reduction and other design parameters for a range of TPS. This is a large range for TPS mass fraction. We show PICA and HEEET can indeed enable aerocapture missions, but the missions incur a mass penalty. TPS mass savings, can be further reduced with the use of conformal PICA. Advancing the development of Conformal PICA to make it robust across the entire aerothermal environment (peak heat-flux, pressure and shear) range will result in TPS mass fractions of < 10% for Ice Giant aerocapture missions such as the Neptune-Triton mission. Aerocapture allows for not only shortening the trip time but enables larger mass to be placed in orbit. Furthermore, probes deployed from orbit will benefit in reduced entry environments allowing for a lower risk TPS implementation as compared to mission designs where the probe is released prior to orbit insertion. One of the challenges for the Ice Giant community is to ensure mission designs that maximize science and allow flexibility in the placement of the entry probe. The traditional approach to release the probe ahead of the orbiter may not optimize returned science. In this presentation, we will make the case for mature TPS such as HEEET and PICA. While these materials can enable aerocapture missions, completing the development of conformal PICA and extending Conformal PICA to be more robust, will have significant impact to TPS mass efficiency and significantly enhance science return for future Gas- and Ice-Giant missions.

E Venkatapathy↗
NASA NTRSDate not supplied

An Analysis of Exploration Capability Gaps for Future Habitation Systems to Inform Risk Assessment and Development Priorities

Within NASA, exploration capability gaps are defined as the difference between the current state-of-the-art in capabilities and the anticipated needs of future human spaceflight architectures. As NASA and its partners’ capabilities for human exploration of deep space continue to mature, it is necessary to understand the capability gaps that require closure to support future habitation systems, such as the Lunar Surface Habitat (SH) and Mars Transit Habitat (TH) currently in concept development. This paper will identify high-priority capability gaps for exploration habitation and show potential options for gap closure through investment in technology, development, and testing. High-priority capability gaps are divided into the following general taxonomy areas: human health/life support/habitation systems, flight computing and avionics, power and energy storage, communications and navigation, thermal management systems, human exploration destination systems, autonomous systems, sensors and instruments, GNC (guidance, navigation, and control), robotic systems, ground and uncrewed surface systems, and materials/structures/mechanical systems/manufacturing. In the gap identification process, teams of discipline experts from across NASA reviewed the latest habitation architecture needs against current capabilities to understand where gaps may exist. The results of the assessment established a basis for the current state-of-the-art within each gap and identified the capability needs of the proposed exploration missions the gap links to. An assessment of how each test platform (e.g., Ground, International Space Station (ISS), Commercial Low Earth Orbit (LEO) Destinations, Gateway) may be leveraged to mature capabilities and potentially provide a route to gap closure will be discussed. The notional timeline for gap closure to support reference missions and impacts to overall schedule are also assessed where appropriate. Based on the capability gap analysis described above, the paper summarizes important technology maturation considerations for human exploration architectures, with a focus on the Mars TH. The previously published NASA habitation ground rules and assumptions document is used as the basis to classify gaps as enabling, enhancing, or “push” opportunities for a particular architecture. Stepwise technology maturation plans/considerations are presented for some selected critical gaps. Overall, the analysis in this paper is intended to help influence development priorities for habitation systems, where high-priority, critical gaps are those currently assessed as having a low probability of closure by the anticipated need date. Capability gap analysis also informs the risk register for exploration habitation systems and mitigation strategies to ensure readiness of key technologies to support future mission timelines. Linkage between capability gaps for Moon and Mars is noted, as closure of a gap at a Lunar destination may subsequently enable or enhance Mars TH architectures.

technology development↗
NASA NTRSDate not supplied

Stirling Power Conversion for Lunar Applications

NASA is developing Stirling power convertors for use in nuclear power systems that would provide electricity to users on the lunar surface. NASA’s Radioisotope Power Systems (RPS) Program is maturing advanced dynamic convertor technologies that would increase the efficiency beyond the heritage systems for missions to the Moon and other solar system bodies of interest. Development efforts have focus on Stirling and Brayton designs that meet reliability and robustness requirements for operation in the lunar environment. GRC is also maturing low power convertors in the range of 1-40 watts to power micro-spacecraft or a network of distributed probes and include basic demonstration of in-house designs for convertors and controllers. In addition to RPS applications, conceptual fission systems have been demonstrated using Stirling convertors in multiple electrically heated tests and one test heated by a nuclear reactor. The Stirling convertors used in these fission system concepts include 100 We convertors to enable a 1 kWe system, 1 kWe convertors to enable a 10 kWe system, and 6 kWe convertors to enable a 40 kWe system. The maturation of Stirling power convertors for nuclear applications includes verification of performance in relevant environments and validation of the design with a focus on high reliability and robustness. Over 1 million hours of testing has been accumulated on dozens of convertors since 1999 in the Stirling Research Laboratory at the NASA Glenn Research Center located in Cleveland Ohio, where the longest running convertor is the work record holder at 137,000 hours, or 15.5 years. These maturation efforts have been instrumental in increasing the technology readiness level of Stirling technologies for space applications.

S. Wilson↗
NASA NTRSDate not supplied

An Analysis of Exploration Capability Gaps for Future Habitation Systems to Inform Risk Assessment and Development Priorities

Within NASA, exploration capability gaps are defined as the difference between the current state-of-the-art in capabilities and the anticipated needs of future human spaceflight architectures. As NASA and its partners’ capabilities for human exploration of deep space continue to mature, it is necessary to understand the capability gaps that require closure to support future habitation systems, such as the Lunar Surface Habitat (SH) and Mars Transit Habitat (TH) currently in concept development. This paper will identify high-priority capability gaps for exploration habitation and show potential options for gap closure through investment in technology, development, and testing. High-priority capability gaps are divided into the following general taxonomy areas: human health/life support/habitation systems, flight computing and avionics, power and energy storage, communications and navigation, thermal management systems, human exploration destination systems, autonomous systems, sensors and instruments, GNC (guidance, navigation, and control), robotic systems, ground and uncrewed surface systems, and materials/structures/mechanical systems/manufacturing. In the gap identification process, teams of discipline experts from across NASA reviewed the latest habitation architecture needs against current capabilities to understand where gaps may exist. The results of the assessment established a basis for the current state-of-the-art within each gap and identified the capability needs of the proposed exploration missions the gap links to. An assessment of how each test platform (e.g., Ground, International Space Station (ISS), Commercial Low Earth Orbit (LEO) Destinations, Gateway) may be leveraged to mature capabilities and potentially provide a route to gap closure will be discussed. The notional timeline for gap closure to support reference missions and impacts to overall schedule are also assessed where appropriate. Based on the capability gap analysis described above, the paper summarizes important technology maturation considerations for human exploration architectures, with a focus on the Mars TH. The previously published NASA habitation ground rules and assumptions document is used as the basis to classify gaps as enabling, enhancing, or “push” opportunities for a particular architecture. Stepwise technology maturation plans/considerations are presented for some selected critical gaps. Overall, the analysis in this paper is intended to help influence development priorities for habitation systems, where high-priority, critical gaps are those currently assessed as having a low probability of closure by the anticipated need date. Capability gap analysis also informs the risk register for exploration habitation systems and mitigation strategies to ensure readiness of key technologies to support future mission timelines. Linkage between capability gaps for Moon and Mars is noted, as closure of a gap at a Lunar destination may subsequently enable or enhance Mars TH architectures.

technology development↗
NASA NTRS2024

Hybrid Thermally Efficient Core (HyTEC) HyTEC Phase 1 – Combustor Final Report

The objective of the HyTEC – Combustor Technology project is to develop technology for a compact, low emissions, rich-burn combustor that maintains a high-level of durability. To accomplish this, the combustor will incorporate CMC liners and a CMC Dome to enable improved air utilization for mixing and NOx reduction. In particular, three technology areas were matured: metallic swirler attachment to the CMC dome, Nickel diffusion in CMC, and EBC advancements with improved durability. The maturation of these technology areas is critical to successfully designing a combustor for an engine intended to demonstrate increased thermal efficiency with integrated high-power density-core engine technologies. As part of the project, multiple swirler attachment architectures were matured through the design process, manufactured, and tested in simulated engine conditions. These architectures utilized two different approaches to attachment: a pressure loaded approach and a clamped approach. Each approach required testing at simulated engine conditions to mature the technology. These tests were developed to ensure that the probable failure mechanisms for each architecture were assessed relative to its long-term durability. After successfully testing both approaches, the pressure loaded approach was chosen based on its simplicity and its similarity to the attachment approach used on lean burn combustors. Finally, this successful testing resulted in the swirler attachment technology achieving TRL 4 status. Another aspect of concern with the metallic swirler attachment is the potential for nickel diffusion into the CMC to cause durability shortfalls. A series of tests were completed to understand both the amount of nickel that is expected to diffuse into the CMC and the effect this diffusion will have on mechanical properties of the CMC. After successfully completing this testing, the reduction in local mechanical properties was found to not have an impact on the overall durability of the CMC Dome. To further improve the overall durability, three different EBC coating architectures were also studied. One of these coatings being the current state of the art for CMC liners with the other two being proposed improvements. Coupons were produced using each coating and subjected to a series of laboratory testing. One coating was found to have an overall superior durability in laboratory testing and survived rig testing without indication of degradation. This successful testing resulted in the EBC technology achieving TRL 5 status. Overall, a design approach was successfully down-selected that achieves both the TPM requirements and the need for TRL 4+ status. This design incorporates a pressure loaded swirler attachment with an improved EBC coating (Architecture 1). This combination allows the continued use of a CMC dome and results in an improved durability for the proposed compact core combustor.

CMC↗
DOE OSTI2024

Mechanical forces orchestrate the metabolism of the developing oilseed rape embryo

The initial free expansion of the embryo within a seed is at some point inhibited by its contact with the testa, resulting in its formation of folds and borders. Although less obvious, mechanical forces appear to trigger and accelerate seed maturation. However, the mechanistic basis for this effect remains unclear. Manipulation of the mechanical constraints affecting either the in vivo or in vitro growth of oilseed rape embryos was combined with analytical approaches, including magnetic resonance imaging and computer graphic reconstruction, immunolabelling, flow cytometry, transcriptomic, proteomic, lipidomic and metabolomic profiling. Our data implied that, in vivo, the imposition of mechanical restraints impeded the expansion of testa and endosperm, resulting in the embryo's deformation. An acceleration in embryonic development was implied by the cessation of cell proliferation and the stimulation of lipid and protein storage, characteristic of embryo maturation. The underlying molecular signature included elements of cell cycle control, reactive oxygen species metabolism and transcriptional reprogramming, along with allosteric control of glycolytic flux. Constricting the space allowed for the expansion of in vitro grown embryos induced a similar response. The conclusion is that the imposition of mechanical constraints over the growth of the developing oilseed rape embryo provides an important trigger for its maturation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Moving the needle: Employing deep reinforcement learning to push the boundaries of coarse-grained vaccine models

Highly mutable infectious disease pathogens (hm-IDPs) such as HIV and influenza evolve faster than the human immune system can contain them, allowing them to circumvent traditional vaccination approaches and causing over one million deaths annually. Agent-based models can be used to simulate the complex interactions that occur between immune cells and hm-IDP-like proteins (antigens) during affinity maturation—the process by which antibodies evolve. Compared to existing experimental approaches, agent-based models offer a safe, low-cost, and rapid route to study the immune response to vaccines spanning a wide range of design variables. However, the highly stochastic nature of affinity maturation and vast sequence space of hm-IDPs render brute force searches intractable for exploring all pertinent vaccine design variables and the subset of immunization protocols encompassed therein. To address this challenge, we employed deep reinforcement learning to drive a recently developed agent-based model of affinity maturation to focus sampling on immunization protocols with greater potential to improve the chosen metrics of protection, namely the broadly neutralizing antibody (bnAb) titers or fraction of bnAbs produced. Using this approach, we were able to coarse-grain a wide range of vaccine design variables and explore the relevant design space. Our work offers new testable insights into how vaccines should be formulated to maximize protective immune responses to hm-IDPs and how they can be minimally tailored to account for major sources of heterogeneity in human immune responses and various socioeconomic factors. Our results indicate that the first 3 to 5 immunizations, depending on the metric of protection, should be specially tailored to achieve a robust protective immune response, but that beyond this point further immunizations require only subtle changes in formulation to sustain a durable bnAb response.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2013

Spacecraft Complexity Subfactors and Implications on Future Cost Growth

During the last ten years the Jet Propulsion Laboratory has used a set of cost-risk subfactors to independently estimate the magnitude of development risks that may not be covered in the high level cost models employed during early concept development. Within the last several years the Laboratory has also developed a scale of Concept Maturity Levels with associated criteria to quantitatively assess a concept's maturity. This latter effort has been helpful in determining whether a concept is mature enough for accurate costing but it does not provide any quantitative estimate of cost risk. Unfortunately today's missions are significantly more complex than when the original cost-risk subfactors were first formulated. Risks associated with complex missions are not being adequately evaluated and future cost growth is being underestimated. The risk subfactor process needed to be updated.

Mission Design↗
DOE OSTI2024

Algae to HEFA : Economics and potential deployment in the United States

Abstract To reach the goals set by the US Department of Energy's Sustainable Aviation Fuel (SAF) Grand Challenge, currently available feedstocks may be insufficient. Giving priority to developing, prototyping and reducing the cost of algal feedstock before investing and lining up locations is important. As the production of algal feedstocks advances, a simplified conversion approach using more mature technologies can help reduce the investment risk for algae‐based fuels. Reducing process complexity to the steps described here [namely, conversion of lipids to HEFA (hydroprocessed esters and fatty acids) fuels and relegating the remainder of the biomass to anaerobic digestion or food/feed production] enables the near‐term production of algal SAF but presents challenging economics depending on achievable cultivation costs and compositional quality. However, these economics can be improved by present‐day policy incentives. With these incentives, the modeled algae‐to‐HEFA pathway could reach a minimum fuel selling price as low as $4.7 per gasoline gallon equivalent depending on the carbon intensity reduction that can be achieved compared with petroleum. Uncertainty about algal feedstock production maturity in the current state of technology and the future will play a large role in determining the economic feasibility of building algae‐to‐HEFA facilities. For example, if immaturity increases the feedstock price by even 10%, SAF production in 2050 is about 58% of the production which could have been achieved with mature feedstock. Additionally, growth in this conversion pathway can be notably boosted through the inclusion of subsidies, and also through higher‐value coproducts or higher lipid yields beyond the scope of the process considered here.

09 BIOMASS FUELS↗
DOE OSTI2022

Beyond carbon flux partitioning: Carbon allocation and nonstructural carbon dynamics inferred from continuous fluxes

Carbon (C) allocation and nonstructural carbon (NSC) dynamics play essential roles in plant growth and survival under stress and disturbance. However, quantitative understanding of these processes remains limited. Here, in this work, we propose a framework where we connect commonly measured carbon cycle components (eddy covariance fluxes of canopy CO 2 exchange, soil CO 2 efflux, and allometry-based biomass and net primary production) by a simple mass balance model to derive ecosystem-level NSC dynamics (NSC i ), C translocation (dC i ), and the biomass production efficiency (BPE i ) in above- and belowground plant (i = agp and bgp) compartments. We applied this framework to two long-term monitored loblolly pine (Pinus taeda) plantations of different ages in North Carolina and characterized the variations of NSC and allocation in years under normal and drought conditions. The results indicated that the young stand did not have net NSC flux at the annual scale, whereas the mature stand stored a near-constant proportion of new assimilates as NSC every year under normal conditions, which was comparable in magnitude to new structural growth. Roots consumed NSC in drought and stored a significant amount of NSC post drought. The above- and belowground dC i and BPE i varied more from year to year in the young stand and approached a relatively stable pattern in the mature stand. The belowground BPE bgp differed the most between the young and mature stands and was most responsive to drought. With the internal C dynamics quantified, this framework may also improve biomass production estimation, which reveals the variations resulting from droughts. Overall, these quantified ecosystem-scale dynamics were consistent with existing evidence from tree-based manipulative experiments and measurements and demonstrated that combining the continuous fluxes as proposed here can provide additional information about plant internal C dynamics. Given that it is based on broadly available flux data, the proposed framework is promising to improve the allocation algorithms in ecosystem C cycle models and offers new insights into observed variability in soil–plant–climate interactions.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Molecular structures reveal the origin of spectral variation in cryptophyte light harvesting antenna proteins

In addition to their membrane-bound chlorophyll a/c light-harvesting antenna, the cryptophyte algae have evolved a unique phycobiliprotein antenna system located in the thylakoid lumen. The basic unit of this antenna consists of two copies of an αβ protomer where the α and β subunits scaffold different combinations of a limited number of linear tetrapyrrole chromophores. While the β subunit is highly conserved, encoded by a single plastid gene, the nuclear-encoded α subunits have evolved diversified multigene families. It is still unclear how this sequence diversity results in the spectral diversity of the mature proteins. By careful examination of three newly determined crystal structures in comparison with three previously obtained, we show how the α subunit amino acid sequences control chromophore conformations and hence spectral properties even when the chromophores are identical. Previously we have shown that α subunits control the quaternary structure of the mature αβ.αβ complex (either open or closed), however, each species appeared to only harbor a single quaternary form. Here we show that species of the Hemiselmis genus contain expressed α subunit genes that encode both distinct quaternary structures. Finally, we have discovered a common single-copy gene (expressed into protein) consisting of tandem copies of a small α subunit that could potentially scaffold pairs of light harvesting units. Together, our results show how the diversity of the multigene α subunit family produces a range of mature cryptophyte antenna proteins with differing spectral properties, and the potential for minor forms that could contribute to acclimation to varying light regimes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Litter removal impacts on soil biodiversity and eucalypt plantation development in the seasonal tropics

The little layer of tree plantations provides primary nutrients for uptake, buffers changes in soil moisture, and provides habitat and substrate to soil epigeic fauna. However, this layer in eucalypt plantations is often removed to reduce fuel load during the fire season in the Brazilian savanna (Cerrado). Therefore, it is necessary to quantify the effects of changes in litter dynamics on the function of these plantations, on key nutrient cycling processes and on epigeic fauna diversity and abundance. In two adjacent stands (one juvenile and one mature), the consequences of two years of litter removal were quantified as monthly litterfall, leaf and fine wood litter decomposition, epigeic fauna abundance and diversity, soil biogeochemical variables, and tree diameter and basal area increments. Monthly litterfall rates in juvenile and mature stands did not change with litter removal over the study period. Annual litterfall ranged from 4.1 to 4.9 Mg ha -1 a -1 in litter removal plots and from 3.9 to 4.8 Mg ha -1 a -1 in control plots. Fine wood litter decomposition was slower in litter removal plots compared to controls, while leaf decomposition rates were similar in both. Two years of litter removal in the juvenile stand did not affect topsoil biogeochemical parameters but decreased available phosphorus at 20–40 cm depth relative to controls. In the mature stand, total cation exchange capacity (0–20 cm) was higher in controls (6.4 cmol c dm -3 ) relative to litter removal plots (6.3 cmol c dm -3 ), while soil moisture (0–40 cm depth) was lower in litter removal (25.45 m 3 m -3 ) compared to control plots (26 m 3 m -3 ) in the dry season. A non-metric multidimensional scaling ordination revealed an increased homogeneity in epigeic fauna where litter was removed. Litterfall, decomposition, diameter increment, four soil physical parameters and fourteen chemical parameters at 0–20 and 20–40 cm depth explained the differences in soil epigeic fauna composition between litter removal and control plots. Diameter increment decreased with litter removal only in the juvenile stand, which had reached its growth peak. The results indicate that removing excess litter to decrease fuel volume can alter soil biodiversity and edaphic conditions that negatively affect nutrient cycling and tree growth.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Cybersecurity Vulnerability Mitigation Framework through Empirical Paradigm: Enhanced Prioritized Gap Analysis

Existing cybersecurity vulnerability assessment tools were designed based on the policies and standards defined by organizations such as the U.S. Department of Energy and the National Institute of Standards and Technology (NIST). Frameworks such as the cybersecurity capability maturity model (C2M2) and the NIST Cybersecurity Framework (CSF) are often used by the critical infrastructure owners and operators to determine the cybersecurity maturity of their facility. Although these frameworks are exceptional at performing qualitative cybersecurity analysis and identifying vulnerabilities, they do not provide a means to perform prioritized mitigation of those vulnerabilities in order to achieve a desired cybersecurity maturity. To address that challenge, we developed a framework and software application called the cybersecurity vulnerability mitigation framework through empirical paradigm (CyFEr). This paper presents the detailed architecture of CyFEr’s enhanced prioritized gap analysis (EPGA) methodology and its application to CSF. The efficacy of the presented framework is demonstrated by comparing against existing similar models and testing against the cyber injects from a real-world cyber-attack that targeted industrial control systems (ICS) in critical infrastructures.

Gourisetti, Sri Nikhil G.↗
DOE OSTI2020

Analyzing the co-evolution of green technology diffusion and consumers’ pro-environmental attitudes: An agent-based model

Massive diffusion of green technologies is significant for building a cleaner world. However, the process of technology diffusion is usually slow and complex. An in-depth understanding of the mechanism regarding green technology diffusion is an essential precondition for effectively stimulating this process. Green technology diffusion heavily involves both social and technological changes. Although existing studies have provided rich knowledge about identifying critical drivers and barriers affecting green technology diffusion, research that considers consumers’ pro-environmental attitudes and green technology diffusion as an evolving system is still sparse. Aiming at exploring the co-evolution of consumers’ pro-environmental attitudes and green technology diffusion, this paper builds an agent-based model that integrates the relative agreement model with technology diffusion theories to conduct a sequence of controlled numerical experiments, which progressively unveil how attitudinal and technological factors impact green technology diffusion. The main findings include that (1) improving consumers’ pro-environmental attitudes is prominently beneficial to green technology diffusion and maturation; (2) technology maturity has very limited impact on consumers’ first-time purchases but significantly affects consumers’ satisfaction, which would further impact consumers’ repeat purchases; (3) consumers that do not support green technologies frequently emerge during the evolution of attitudes (despite the high technology maturity), which corresponds to the emergence of the anti-environmental groups observed in the real world; (4) active interactions between non-adopters enable their attitudes to converge, which results in the polarization of consumers’ attitudes.

ABM↗
DOE OSTI2022

Unmasking the Conformational Stability and Inhibitor Binding to SARS-CoV-2 Main Protease Active Site Mutants and Miniprecursor

We recently demonstrated that inhibitor binding reorganizes the oxyanion loop of a monomeric catalytic domain of SARS CoV-2 main protease (MPro) from an unwound (E) to a wound (active, E*) conformation, independent of dimerization. Here we assess the effect of the flanking N-terminal residues, to imitate the MPro precursor prior to its autoprocessing, on conformational equilibria rendering stability and inhibitor binding. Thermal denaturation (T m ) of C145A mutant, unlike H41A, increases by 6.8 °C, relative to wild-type mature dimer. An inactivating H41A mutation to maintain a miniprecursor containing TSAVL[Q or E] of the flanking nsp4 sequence in an intact form [ (-6) MPro H41A and (-6*) MPro H41A , respectively], and its corresponding mature MPro H41A were systematically examined. While the H41A mutation exerts negligible effect on T m and dimer dissociation constant (K dimer ) of MPro H41A , relative to the wild type MPro, both miniprecursors show a 4–5 °C decrease in T m and > 85-fold increase in K dimer as compared to MPro H41A . The K d for the binding of the covalent inhibitor GC373 to (-6*) MPro H41A increases ~12-fold, relative to MPro H41A , concomitant with its dimerization. While the inhibitor-free dimer exhibits a state in transit from E to E* with a conformational asymmetry of the protomers’ oxyanion loops and helical domains, inhibitor binding restores the asymmetry to mature-like oxyanion loop conformations (E*) but not of the helical domains. Finally, disorder of the terminal residues 1–2 and 302–306 observed in both structures suggest that N-terminal autoprocessing is tightly coupled to the E-E* equilibrium and stable dimer formation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Episodic hydrocarbon charge in tight Mississippian reservoirs of Central Oklahoma, USA: Insights from oil inclusion geochemistry

The unforeseen discovery of substantial hydrocarbons in ultra-tight Mississippian reservoirs in Oklahoma testifies to the complexity of the hydrocarbon charge across the flanks of the Nemaha Uplift. Based on crude oil and fluid-inclusion chemistry, the hydrocarbons at the western side of the Nemaha Uplift consist of highly-mature, thermally-cracked and less-mature uncracked hydrocarbons (0.50–1.4% calculated vitrinite reflectance, R c ). The oils are less mature on the eastern flank of the structure (0.5–0.7% R c ). Based on distributions of biomarkers and higher diamondoid (composed of three adamantane cages or more) distributions, the hydrocarbons entrapped within reservoir fluid-inclusions are sourced from the Woodford Shale and also from Mississippian carbonates. To our knowledge, this is the first work to describe oil correlations using diamondoids inside fluid inclusions. Petroleum compositions in the ultra-tight Mississippian reservoirs are highly variable, which highlights the need for a thorough assessment of mechanisms controlling charge. By integrating oil and fluid inclusion geochemistry and fluid-inclusion microthermometry with basin modeling, we show that the primary controls are: (1) proximity to the source-rock kitchen(s), (2) episodic charging from Permian through Cretaceous time, and (3) mixing.

58 GEOSCIENCES↗
DOE OSTI2023

Unique interface and dynamics of the complex of HSP90 with a specialized cochaperone AIPL1

Photoreceptor phosphodiesterase PDE6 is central for visual signal transduction. Maturation of PDE6 depends on a specialized chaperone complex of HSP90 with aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1). Disruption of PDE6 maturation underlies a severe form of retina degeneration. Here, we report a 3.9 Å cryoelectron microscopy (cryo-EM) structure of the complex of HSP90 with AIPL1. This structure reveals a unique interaction of the FK506-binding protein (FKBP)-like domain of AIPL1 with HSP90 at its dimer interface. Unusually, the N terminus AIPL1 inserts into the HSP90 lumen in a manner that was observed previously for HSP90 clients. Deletion of the 7 N-terminal residues of AIPL1 decreased its ability to cochaperone PDE6. Multi-body refinement of the cryo-EM data indicated large swing-like movements of AIPL1-FKBP. Modeling the complex of HSP90 with AIPL1 using crosslinking constraints indicated proximity of the mobile tetratricopeptide repeat (TPR) domain with the C-terminal domain of HSP90. Our study establishes a framework for future structural studies of PDE6 maturation.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Construction of extracellular matrix-based 3D hydrogel and its effects on cardiomyocytes

Highlights: • SOD and Triton X-100 could efficiently decellularize cells to get cardiac ECM. • Main proteins of cECM were fibronectin, collagen, elastin, fibrillin, laminin, etc. • 75% cECM-containing 3D hydrogel promoted cell proliferation and anti-apoptosis. • cECM3DH facilitated the differentiation of ESCs into CMs. • APcECM3DH was more conducive to NCM and ESC-derived CM maturation. Some discoveries resulted from 2-dimensional (2D) cultured cardiac cells have been disqualified in animal testing and later clinical trials. Extracellular matrix (ECM) plays a vital role in cardiac homeostasis, cardiac ECM (cECM)-based 3D cell cultures can mimics the physiological and pathological conditions in vivo closely, it is hopeful of addressing this challenge. Construction of cECM-based 3-dimensional (3D) hydrogel (cECM3DH) and its effects on cell behaviors were studied here. The results indicated that cellular compartments could be efficiently removed from heart tissue via sodium dodecyl sulfonate (SDS)- and Triton X-100-mediated decellularization, remaining the natural fibrous network structure and major proteins. 3D hydrogel consisted of 1 × 10{sup 7} cells/mL cells and 75% cECM could promote the proliferation and anti-apoptosis ability of human embryonic kidney (HEK)-293T cells. 0.25% trypsin or 0.20% collagenase was suitable to retrieve these cells from 3D hydrogel for further researches. Compared with 2D culture system, cECM3DH could significantly increase the proportion of GATA 4{sup +} cardiomyocytes (CMs) derived from heart tissue of neonatal mouse or induced differentiation of embryonic stem cells (ESCs) (P < 0.05) The expression levels of mature genes including cTnT, JCN, CaV1.2, MYL2, CASQ2, NCX1, and Cx43 of these CMs in adult pig cECM-based 3D hydrogel (APcECM3DH) were significantly higher than that in 2D culture system and in newborn piglet cECM-based 3D hydrogel (NPcECM3DH), respectively (P < 0.05). Therefore, cECM3DH supports the generation of primary CMs and ESC-derived CMs, APcECM3DH was more conducive to promoting CM maturation, which contributes to building 3D model for pathogenesis exploration, drug screening, and regenerative medicine of heart diseases.

60 APPLIED LIFE SCIENCES↗