Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “complex environments”

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 757 records · Page 42

Determining processing behaviour of pure Cu in laser powder bed fusion using direct micro-calorimetry

We report copper is challenging to process by laser powder bed fusion (LPBF) given its high reflectivity at common infrared laser diode wavelengths and high thermal conductivity. Successful deposition of copper in a predictable and repeatable fashion relies on understanding the development of the keyhole melting regime, as well as heating, melting, boiling and vapour formation behaviour when interacting with a laser beam within an LPBF environment. In this study, in situ optical absorptivity measurements are used to clarify the complex physics of the laser material interaction. Absorptivity of laser energy is measured using direct micro-calorimetry and compared to melt pool depth in correlation to processing parameters. The measured absorptivity for a 100 μm layer thickness of powder was found to be approximately four times higher than that of the bare polished discs. It was also shown that high laser power above 500 W and scan speed up to 150 mm/s are appropriate for effective melting of the powder layer, with these parameters overcoming the threshold required to achieve keyhole melting. This is explained by multiple reflections withing the powder particles and the lower thermal conductivity of packed powder in comparison to bare discs. Melt pool formation was found to be highly unstable and an explosive behavior was observed when in the keyhole regime, caused by high fluctuations in absorptivity values. This work demonstrates calorimetry can be used to monitor melting behaviour in a real-time fashion during processing for this challenging to process material, thereby avoiding unnecessary parametric optimisation. In addition, the parametric window for optimum processing revealed here can inform future work.

36 MATERIALS SCIENCE↗

Thiocyanate Ions Form Antiparallel Populations at the Concentrated Electrolyte/Charged Surfactant Interface

Anions play significant roles in the separation of lanthanides and actinides. The molecular-scale details of how these anions behave at aqueous interfaces are not well understood, especially at high ionic strengths. Here, we describe the interfacial structure of thiocyanate anions at a soft charged interface up to 5 M bulk concentration with combined classical and phase-sensitive and molecular dynamics (MD) simulations. At low concentrations thiocyanate ions are mostly oriented with their sulfur end pointing toward the charged surfactants. In this work, the VSFG signal reaches a plateau at around 100 mM bulk concentration, followed by significant changes above 1 M. At high concentrations a new thiocyanate population emerges with their sulfur end pointing toward the bulk liquid. The –CN stretch frequency is different for up and down oriented SCN – ions, indicating different coordination environments. These results provide key molecular-level insights for the interfacial behavior of complex anions in highly concentrated solutions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Biocomposite thermoplastic polyurethanes containing evolved bacterial spores as living fillers to facilitate polymer disintegration

The field of hybrid engineered living materials seeks to pair living organisms with synthetic materials to generate biocomposite materials with augmented function since living systems can provide highly-programmable and complex behavior. Engineered living materials have typically been fabricated using techniques in benign aqueous environments, limiting their application. In this work, biocomposite fabrication is demonstrated in which spores from polymer-degrading bacteria are incorporated into a thermoplastic polyurethane using high-temperature melt extrusion. Bacteria are engineered using adaptive laboratory evolution to improve their heat tolerance to ensure nearly complete cell survivability during manufacturing at 135 °C. Furthermore, the overall tensile properties of spore-filled thermoplastic polyurethanes are substantially improved, resulting in a significant improvement in toughness. The biocomposites facilitate disintegration in compost in the absence of a microbe-rich environment. Finally, embedded spores demonstrate a rationally programmed function, expressing green fluorescent protein. This research provides a scalable method to fabricate advanced biocomposite materials in industrially-compatible processes.

36 MATERIALS SCIENCE↗

Identifying chemically similar multiphase nanoprecipitates in compositionally complex non-equilibrium oxides via machine learning

Abstract Characterizing oxide nuclear fuels is difficult due to complex fission products, which result from time-evolving system chemistry and extreme operating environments. Here, we report a machine learning-enhanced approach that accelerates the characterization of spent nuclear fuels and improves the accuracy of identifying nanophase fission products and bubbles. We apply this approach to commercial, high-burnup, irradiated light-water reactor fuels, demonstrating relationships between fission product precipitates and gases. We also gain understanding of the fission versus decay pathways of precipitates across the radius of a fuel pellet. An algorithm is provided for quantifying the chemical segregation of the fission products with respect to the high-burnup structure, which enhances our ability to process large amounts of microscopy data, including approaching the atomistic-scale. This may provide a faster route for achieving physics-based fuel performance modeling.

36 MATERIALS SCIENCE↗

Influence of surface chemistry on Li nucleation energetics on graphene-based surfaces

Lithium metal is a promising high-capacity anode material for solid-state batteries, but it typically suffers from poor cyclability. Carbon scaffold hosts have the potential to improve this performance due to their high electronic conductivity and large surface area, which facilitates lithium-ion adsorption and desorption. Scaffold surface chemistry is known to significantly influence performance outcomes, but the details of these interactions are not fully understood. Here, this study employs first-principles simulations to explore lithium transport and nucleation on graphene anodes with various surface chemistries. Using enhanced sampling techniques, ab initio molecular dynamics, and density functional theory calculations, we find that although surface chemistry has a minimal impact on lithium interfacial transport, it influences surface nucleation significantly. Both heteroatom dopants and intrinsic defects lower the nucleation barrier, creating a more favorable environment for lithium nucleation compared to pristine graphene. In addition, our results reveal a complex interplay between surface lithium concentration, lithium transport, and nucleation kinetics. These findings highlight the potential of surface modifications to precisely control nucleation processes on carbon-based anodes and provide design guidance for reducing dendrite formation and improving the cycle life of solid-state batteries.

36 MATERIALS SCIENCE↗

High Semi-Volatile Organic Aerosol Contributions Associated with Ammonium Nitrate in the Coastal Urban Environment

Organic components often contribute 50% or more of the submicron aerosol mass in coastal urban environments, but their partitioning between the gas and particle phases is controlled by a complex mixture of unidentified organic compounds that are poorly constrained by observations. This study compares daily filter organic functional groups (OFG) with online organic mass fragments from La Jolla, California, as part of the Eastern Pacific Cloud Aerosol Precipitation Experiment (EPCAPE), quantifying the contributions of four types of non-volatile (NV) organic emission sources to the submicron composition. Daily filters retained only 0.79–0.98 µg/m3 NV submicron organic mass concentration, even though 1.8–1.9 µg/m3 non-refractory (NR) submicron organic mass concentration was measured online. The 62–64% of measured NR submicron organic mass concentration that exceeded what remained on the filters after 23-hr sampling is interpreted as semi-volatile, consistent with the moderate correlation of the NR NV difference to NR ammonium, NR nitrate, and biomass burning-related NV and NR organic factors. The association between semi-volatile organic components and ammonium nitrate likely results from both co-emission and co-evaporation. Size-resolved filter analysis showed that NV organic mass concentration accounts for 68% of NR organic mass concentration for 0.5–1 µm dry diameter but account for 9.0% for 0.18–0.5 µm dry diameter showing the differences in volatility between particle modes. Importantly, volatility of organic components was size-dependent Information Classification: General and associated with ammonium nitrate and biomass burning, providing guidance for constraining atmospheric aerosol properties in global models.

Pelayo, Christian↗

Ultrasonic waveguide reflectometry for quench detection (CRADA Final Report)

Early detection of thermal runaway (quench) is critical for safely operating high-temperature superconductor (HTS) magnets. Voltage-based techniques provide late detection of quenching in HTS, which can lead to magnet burnout and system damage. Various non-voltage quench-detection approaches are therefore investigated nowadays that are based on magnetic, acoustic, and optical sensing. LBNL has been actively developing the quench detection principle based on diffuse ultrasonic wave propagation since 2017 and has demonstrated the approach's viability with several peer-reviewed publications and a patent application. Over the last decade, Etegent, LBNL partner for this proposal and effort, has been developing a sensing technology that utilizes the propagation of stress waves through the solid metallic and nonmetallic waveguides (WG). The method is based on the dependence of materials' elastic properties and the speed of sound on temperature. Compared with optical analog, acoustic WG operates at much lower frequencies, eliminating the need for expensive, complex, highly sensitive receivers and data processing. Etegent proved this technology in many harsh environments, mainly concentrated high-temperature measurements. The initial contact between LBNL and Etegent started in 2020, aiming at combining our knowledge and effort toward developing a viable ultrasound-based quench detection technique for use with HTS magnets. A preliminary study conducted jointly in 2022 found no principle restrictions for expanding the WG technology toward cryogenic temperature operation. The present CRADA work aimed at designing, building, and testing ultrasonic waveguide temperature sensors at relevant cryogenic conditions, and demonstrating this technology's applicability to detecting heating and quenching in High Temperature Superconductor (HTS)-based cables and magnets. The technical objectives of the project included: (1) Design and fabricate ultrasonic WG sensors suitable for cryogenic operation, (2) Test ultrasonic WGs under cryogenic conditions, (3) Determining a suitable way of insulating WGs to prevent ultrasonic leakage while maintaining good thermal contact with the surrounding medium, (4) WG integration and cryogenic test with HTS conductors and HTS magnets, and (5) Design and basic prototyping of a standalone WG-based quench detection system. This project adds value to the present LBNL magnet diagnostics portfolio and enables a breakthrough in addressing the HTS magnet quench detection challenge.

47 OTHER INSTRUMENTATION↗

Homologs of Phycobilisome Abundance Regulator PsoR Are Widespread across Cyanobacteria

During chromatic acclimation (CA), cyanobacteria undergo shifts in their physiology and metabolism in response to changes in their light environment. Various forms of CA, which involves the tuning of light-harvesting accessory complexes known as phycobilisomes (PBS) in response to distinct wavelengths of light, have been recognized. Recently, a negative regulator of PBS abundance, PsoR, about which little was known, was identified. We used sequence analyses and bioinformatics to predict the role of PsoR in cyanobacteria and PBS regulation and to examine its presence in a diverse range of cyanobacteria. PsoR has sequence similarities to the β-CASP family of proteins involved in DNA and RNA processing. PsoR is a putative nuclease widespread across Cyanobacteria, of which over 700 homologs have been observed. Promoter analysis suggested that psoR is co-transcribed with upstream gene tcpA. Multiple transcription factors involved in global gene regulation and stress responses were predicted to bind to the psoR-tcpA promoter. The predicted protein–protein interactions with PsoR homologs included proteins involved in DNA and RNA metabolism, as well as a phycocyanin-associated protein predicted to interact with PsoR from Fremyella diplosiphon (FdPsoR). The widespread presence of PsoR homologs in Cyanobacteria and their ties to DNA- and RNA-metabolizing proteins indicated a potentially unique role for PsoR in CA and PBS abundance regulation.

Layer, Alicia↗

Robotics for Systems Integration in Buildings: Pilot Study of Viable Approaches to Install Hygrothermal and Rigid Electrical Systems

The Industrialized Construction Innovation (ICI) team at the National Renewable Energy Laboratory (NREL) has been exploring the use of robotics to integrate hygrothermal, mechanical, electrical, and plumbing systems in prefabricated building assemblies (off-site construction) and 3D-printed buildings (on-site construction). Such multisystem integration tasks often require specialized robots and custom end effectors to handle a range of rigid and nonrigid building components. This paper begins with a brief overview of the current state of robotics in construction, followed by a pilot study exploring the use of robotics to integrate a simple prototype multitrade wall assembly composed of structural studs, hygrothermal layer, wall finishing, and electrical fixtures. The study was funded by the US Department of Energy's (DOE's) Advanced Materials and Manufacturing Technologies Office (AMMTO). Insights about the implementation of design for manufacturing and assembly (DfMA) principles in designing the prototype wall for robotic assembly, and selection of appropriate robotic end-effector hardware to handle these components are included. Detailed comparison of computational toolpath simulations of the robotic assembly process and real-life demonstration of the same are presented. Finally, limitations and lessons learned from this study are included, along with future research recommendations for robotic assembly of more complex multitrade assemblies, including potential scenarios such as robotic outfitting of facilities in extraterrestrial environments.

advanced manufacturing↗

Interpreting T-History Data on Supercooling and Phase Change Enthalpy of a Salt-Hydrogel Complex for Building Thermal Management

Phase change materials (PCMs) are promising materials for storing and discharging latent heat in buildings to regulate the thermal environment. Measurement of salt hydrate PCM thermal performance is often challenging because of supercooling and phase segregation. Though differential scanning calorimetry (DSC) has been widely used to measure thermal properties of various phase change materials, DSC uses milligrams of sample and is unrealistic for predicting large-scale materials performance. The T-history method [1], in contrast, handles higher volumes but the analysis typically requires a lumped capacitance assumption. Here, we report and analyze T-History data on a novel salt-hydrogel complex with high viscosity, that renders low Biot number sample preparation extremely challenging. We re-examine the standard T-history method and compared against DSC data in this complex material. We report details of an experimental setup, built with necessary additions to a controlled environmental chamber. We carefully examine the validity of the lumped capacitance assumption and suggest a modified analysis using a computational approach for reliable data. Experimental parameters such as ramp rate and temperature range of the environmental chamber are considered via computational modeling to understand the effect of ramp rate on supercooling [2]. Finally, we report thermal cycling experiments on the salt-hydrogel complex. Our modified approach to measuring supercooling and enthalpy of fusion at large scales is important in better understanding the performance of phase-change materials at scale for building thermal storage. References: [1] Marin, Jose M, Belen Zalba, Luisa F Cabeza, and Harald Mehling. “Determination of Enthalpy Temperature Curves of Phase Change Materials with the Temperature-History Method: Improvement to Temperature Dependent Properties.” Measurement Science and Technology 14, no. 2 (February 1, 2003): 184–89. https://doi.org/10.1088/0957-0233/14/2/305. [2] Safari, A., R. Saidur, F.A. Sulaiman, Yan Xu, and Joe Dong. “A Review on Supercooling of Phase Change Materials in Thermal Energy Storage Systems.” Renewable and Sustainable Energy Reviews 70 (April 2017): 905–19. https://doi.org/10.1016/j.rser.2016.11.272

thermodynamics↗

Simulating Thermoelectric Devices Using the MOOSE Framework

Thermoelectric generators (TEG) are devices that generate energy by converting heat into electricity or provide cooling via the Peltier effect. This feature of thermoelectric devices originates from the Seebeck, Peltier, Thomson, and Joule heating effects. TEGs can be applied in energy and thermal management systems such as waste heat recovery and refrigeration, respectively. Thermoelectric device design is influenced by the material selection and the device's geometry operating conditions. Therefore, predicting, verifying, and validating thermoelectric device performance using simulations tools is essential to deploying thermoelectric devices in industry. The Multiphysics Object-Oriented Simulation Environment (MOOSE) Framework is an open-source simulation tool capable of modeling simple to complex systems. In this work, we demonstrate MOOSE's thermoelectric device modeling capabilities by simulating a unicouple, module, and exhaust gas recovery system. The Seebeck, Peltier, Thomson, and Joule heating physics are implemented into MOOSE. The MOOSE thermoelectric physics were thoroughly verified and validated using published COMSOL® results and experimental data. In addition, thermoelectric modules were integrated into an exhaust gas recovery system using the MOOSE MultiApp function as a demonstration of the model's ability. The verification and validation results and exhaust gas heat recovery system showcases MOOSE's capability to model thermoelectric devices and integrate these devices into practical energy systems.

42 - ENGINEERING↗

Solution Chemistry of Copper(II) Binding to Substituted 8-Hydroxyquinolines

8-Hydroxyquinolines (8HQs) are a family of lipophilic metal ion chelators that have been used in a range of analytical and pharmaceutical applications over the last 100 years. More recently, CQ (clioquinol; 5-chloro-7-iodo-8-hydroxyquinoline) and PBT2 (5,7-dichloro-2-[(dimethylamino)methyl]-8-hydroxyquinoline) have undergone clinical trials for the treatment of Alzheimer’s disease and Huntington’s disease. Because CQ and PBT2 appear to redistribute metals into cells, these compounds have been redefined as copper and zinc ionophores. Despite the attention surrounding the clinical trials and the clear link between 8HQs and metals, the fundamental solution chemistry of how these compounds bind divalent metals such as copper and zinc, as well as their mechanism(s) of action in mammalian systems, remains poorly understood. Here, we used a combination of X-ray absorption spectroscopy (XAS), high-energy resolution fluorescence detected (HERFD) XAS, electron paramagnetic resonance (EPR), and UV–visible absorption spectroscopies to investigate the aqueous solution chemistry of a range of 8HQ derivatives. To circumvent the known solubility issues with 8HQ compounds and their complexes with Cu(II), and to avoid the use of abiological organic solvents, we have devised a surfactant buffer system to investigate these Cu(II) complexes in aqueous solution. Our study comprises the first comprehensive investigation of the Cu(II) complexes formed with many 8HQs of interest in aqueous solution, and it provides the first structural information on some of these complexes. We find that halogen substitutions in 8HQ derivatives appear to have little effect on the Cu(II) coordination environment; 5,7-dihalogenated 8HQ conformers all have a pseudo square planar Cu(II) bound by two quinolin-8-olate anions, in agreement with previous studies. Conversely, substituents in the 2-position of the 8HQ moiety appear to cause significant distortions from the typical square-planar-like coordination of most Cu(II)-bis-8HQ complexes, such that the 8HQ moieties in the Cu(II)-bis-8HQ complex are rotated approximately 30–40° apart in a “propeller-like” arrangement.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Sensor Placement Optimization Study for the Built Environment: Operational Use Cases

Systems of fixed-position radiation sensors can provide information that assists emergency responders following nuclear and radiological incidents. State, local, tribal, and territorial (SLTT) government agencies that implement systems of fixed-position sensors are faced with numerous decisions regarding sensor selection, quantity, and placement. To develop guidance on implementation of radiation detection systems, we simulated the release of radioactive material in an urban environment using a combination of three models: the Weather Research Forecasting (WRF), Quick Urban and Industrial Complex (QUIC), and Monte Carlo N-Particle (MCNP) models. We then evaluated the performance of several hypothetical sensor systems. The small number of simulations we conducted are not sufficient to generate definitive design guidance for radiation sensor systems, but we did identify trends that would be of interest to emergency planners. For a scenario that releases 1000 curies of Cs-137, radiation detectors were needed at 500-meter intervals to have a high likelihood of event detection and to estimate source location and plume detection. We also noted that optimal detector altitude varied with distance to the source. We recommend additional research in this area be conducted to support developing sensor placement guidelines that expand on a range of locations, isotopes, activity levels, and different weather conditions. Original simulation strategies included a range of environments, additional radioisotopes (Am241 and AmBe), and a larger selection of sensor types. These types of expansions would support SLTT guidance on sensor system recommendations.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Environmental matrix and moisture are key determinants of microbial phenotypes expressed in a reduced complexity soil-analog

Soil moisture and porosity regulate microbial metabolism by influencing factors such as redox conditions, substrate availability, and soil connectivity. However, the inherent biological, chemical, and physical heterogeneity of soil complicates laboratory investigations into microbial phenotypes that mediate community metabolism. This difficulty arises from challenges in accurately representing the soil environment and in establishing a tractable microbial community that limits confounding variables. To address these challenges in our investigation of community metabolism, we use a reduced-complexity microbial consortium grown in a soil analog using a glass-bead matrix amended with chitin. Long-read and short-read metagenomes, metatranscriptomes, metaproteomes, and metabolomes were analyzed to test the effects of soil structure and moisture on chitin degradation. Our soil structure analog system greatly altered microbial expression profiles compared to the liquid-only incubations, emphasizing the importance of incorporating environmental parameters, like pores and surfaces, for understanding microbial phenotypes relevant to soil ecosystems. These changes were mainly driven by differences in overall expression of chitin-degrading Streptomyces species and stress-tolerant Ensifer. Our findings suggest that the success of Ensifer in a structured environment is likely related to its ability to repurpose carbon via the glyoxylate shunt while potentially using polyhydroxyalkanoate granules as a C source. We also identified traits like motility, stress resistance, and biofilm formation that underlie the degradation of chitin across our treatments and inform how they may ultimately alter carbon use efficiency. Together our results demonstrate that community functions like decomposition are sensitive to environmental conditions and more complex than the multi-enzyme pathways involved in depolymerization.

Rodriguez-Ramos, Josue A↗

A new approach of microbiome monitoring in the built environment: feasibility analysis of condensation capture

Background: Humans emit approximately 30 million microbial cells per hour into their immediate vicinity. However, sampling of aerosolized microbial taxa (aerobiome) remains largely uncharacterized due to the complexity and limitations of sampling techniques, which are highly susceptible to low biomass and rapid sample degradation. Recently, there has been an interest in developing technology that collects naturally occurring water from the atmosphere, even within the built environment. Here, we analyze the feasibility of indoor aerosol condensation collection as a method to capture and analyze the aerobiome. Methods: Aerosols were collected via condensation or active impingement in a laboratory setting over the course of 8 h. Microbial DNA was extracted from collected samples and sequenced (16S rRNA) to analyze microbial diversity and community composition. Dimensional reduction and multivariate statistics were employed to identify significant (p < 0.05) differences in relative abundances of specific microbial taxa observed between the two sampling platforms. Results: Aerosol condensation capture is highly efficient with a yield greater than 95% when compared to expected values. Compared to air impingement, aerosol condensation showed no significant difference (ANOVA, p > 0.05) in microbial diversity. Among identified taxa, Streptophyta and Pseudomonadales comprised approximately 70% of the microbial community composition. Conclusion: The results suggest that condensation of atmospheric humidity is a suitable method for the capture of airborne microbial taxa reflected by microbial community similarity between devices. Future investigation of aerosol condensation may provide insight into the efficacy and viability of this new tool to investigate airborne microorganisms.

59 BASIC BIOLOGICAL SCIENCES↗

Pnictogen Bonding at the Core of a Carbene-Stiborane-Gold Complex: Impact on Structure and Reactivity

Our interest in the design of ambiphilic ligands and their coordination to gold has led us to synthesize an indazol-3-ylidene gold chloride complex functionalized at the 4-position of the indazole backbone by a stibine functionality. The antimony center of this new complex cleanly reacts with o-chloranil to afford the corresponding stiborane derivative. Structural analysis indicates that the stiborane coordination environment is best described as a distorted square pyramid whose open face is oriented toward the gold center, allowing for the formation of a long donor–acceptor, or pnictogen, Au → Sb bonding interaction. The presence of this interaction, which has been probed computationally, is also manifested in the enhanced catalytic activity of this complex in the cyclization of N-propargyl-4-fluorobenzamide.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Aerosol size determination via light scattering of viruses and protein complexes

Abstract The study of ultrafine particle aerosols, those with particle diameters of 100 nm or less, is important due to their impact on our health and environment. However, given their small sizes, such particles can be difficult to measure and trace. Most common optical methods are unable to reach this size range. Other methods exist but incur other limitations, such as the need for electrically charged particles. Here we show how light scattering can be used to detect and measure the size and location of single viruses and protein complexes forming an aerosol beam, as well as trace their path. We were able to detect individual particles down to 16 nm in diameter. The primary purpose of our instrument is to monitor the delivery of single bioparticles to the focus of an X-ray laser to image those particles, but it has the potential to study any other aerosols such as those resulting from ultrafine sea spray, with important consequences for cloud formation and climate modeling, or from combustion, responsible for most air pollution and resulting health impacts.

Physics↗

Expanding Accessibility of Energy Modeling in Hawaii

Engage is a free, publicly available web application for energy system modeling. It can augment the energy system planning process by empowering more stakeholders to understand energy system planning options. Engage is user-friendly, free accessible, collaborative, and communicative. The Hawaii Advanced Visualization Environment Nexus (HAVEN) is an outputs-based application for rendering high-impact communicative visualizations of complex data. Engage and HAVEN were developed in collaboration with the U.S. Department of Energy's National Renewable Energy Laboratory and the Hawaii State Energy Office. This use case provides an overview of Hawaii's use of Engage and HAVEN concurrently in working to meet the state's energy goals.

48 EE - Weatherization and Intergovernmental Progr↗