Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “layered structure”

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 793 records · Page 44

Operational control with set-points tuning - application to mobile robots

This paper proposes a novel method for the optimal tuning of set points for multiple-layered control system structure widely seen in robotics and other complex industrial processes composed of a number of subsystems. The terminal sliding mode control (SMC) is used as the low-level control strategy to ensure the stability of subsystems. When uncertainties exist, it can be shown that the deteriorated system performance will be improved by the outer loop with set points tuning. For this purpose, the learning of the new set point is designed to compensate for the effects caused by uncertainties during the system operation. At the same time, the system is proven to stay with the original set point when the compensation is introduced. A practical application to a holonomic mobile robot system is given to illustrate the presented method. Desired results have been obtained.

42 ENGINEERING↗

Using Dissipative Particle Dynamics to Model Effects of Chemical Reactions Occurring within Hydrogels

Computational models that reveal the structural response of polymer gels to changing, dissolved reactive chemical species would provide useful information about dynamically evolving environments. However, it remains challenging to devise one computational approach that can capture all the interconnected chemical events and responsive structural changes involved in this multi-stage, multi-component process. Here, we augment the dissipative particle dynamics (DPD) method to simulate the reaction of a gel with diffusing, dissolved chemicals to form kinetically stable complexes, which in turn cause concentration-dependent deformation of the gel. Using this model, we also examine how the addition of new chemical stimuli and subsequent reactions cause the gel to exhibit additional concentration-dependent structural changes. Through these DPD simulations, we show that the gel forms multiple latent states (not just the “on/off”) that indicate changes in the chemical composition of the fluidic environment. Hence, the gel can actuate a range of motion within the system, not just movements corresponding to the equilibrated swollen or collapsed states. Moreover, the system can be used as a sensor, since the structure of the layer effectively indicates the presence of chemical stimuli.

36 MATERIALS SCIENCE↗

High-Speed and Hysteresis-Free Near-Infrared Optical Hydrogen Sensor Based on Ti/Pd Bilayer Thin Films

Palladium (Pd) and titanium (Ti) exhibit opposite dielectric responses upon hydrogenation, with stronger effects observed in the near-infrared (NIR) region. Leveraging this contrast, we investigated Ti/Pd bilayer thin films as a platform for NIR hydrogen sensing—particularly at telecommunication-relevant wavelengths, where such devices have remained largely unexplored. Ti/Pd bilayers coated with Teflon AF (TAF) and fabricated via sequential electron-beam and thermal evaporation were characterized using optical transmission measurements under repeated hydrogenation cycles. The Ti (5 nm)/Pd (x = 2.5 nm)/TAF (30 nm) architecture showed a 2.7-fold enhancement in the hydrogen-induced optical contrast at 1550 nm compared to Pd/TAF reference films, attributed to the hydrogen ion exchange between the Ti and Pd layers. The optimized structure, with a Pd thickness of x = 1.9 nm, exhibited hysteresis-free sensing behavior, a rapid response time (t90 < 0.35 s at 4% H2), and a detection limit below 10 ppm. It also demonstrated excellent selectivity with negligible cross-sensitivity to CO2, CH4, and CO, as well as high durability, showing less than 6% signal degradation over 135 hydrogenation cycles. These findings establish a scalable, room-temperature NIR hydrogen sensing platform with strong potential for deployment in automotive, environmental, and industrial applications.

Chemistry↗

Subtask 1.3 – Integrated Carbon Capture and Storage for North Dakota Ethanol Production

The Energy & Environmental Research Center (EERC), in partnership with Red Trail Energy, LLC (RTE), a North Dakota ethanol producer; the North Dakota Industrial Commission (NDIC) Renewable Energy Program (REP); and the U.S. Department of Energy (DOE), conducted a feasibility and implementation study for a commercial carbon capture and storage (CCS) effort. This subtask provided technical support and developed recommended practices of how small-scale industrial CO2 emitters (<1,000,000 tonnes of CO2 emitted annually) may economically deploy CCS. The 64-million-gallon dry mill RTE ethanol facility, emitting an average 180,000 tonnes of CO2 annually, was the subject of the case study. The positive outcome of this research, which shows technical and economic potential for ethanol–CCS in North Dakota, has resulted in RTE acquiring an approved Permit to Drill on December 2, 2019, for a stratigraphic test well in early 2020, a necessary step toward a North Dakota CO2 Storage Facility Permit (SFP) for the RTE CCS effort. Outcomes include 1) validating the Broom Creek Formation as a regional target for CCS, 2) determining the full carbon life cycle of an industrial fuel production facility with CCS, 3) developing a field implementation plan (FIP) for small-scale CCS, and 4) determining the validity and pathway for using CCS to meet low-carbon fuel (LCF) standards. The technical team included the EERC, RTE, Trimeric Corporation, Schlumberger Carbon Services, and Computer Modelling Group (CMG). Findings from activities conducted November 2016 – May 2020 are summarized as follows. Several key steps have been accomplished toward validating the Broom Creek Formation as a CO2 injection and storage target at the RTE CCS site, including verification of the presence and structure of sandstone layers that may comprise the potential CO2 storage reservoir and the several thousand feet of overlying confining zone. Work included site characterization using existing data, interpretation of seismic data within the study area, and geologic modeling simulation of CO2 injection. Interpreted results estimate 3000 feet of confining zone between the Broom Creek Formation (storage target) and the lowermost underground source of drinking water (e.g., the Fox Hills Formation). The thickness of the Broom Creek injection target varies 230–420 ft within the survey area. Results were used to inform the location of a stratigraphic test well and associated characterization test program. No impediments were identified within the targeted CO2 storage complex that would prevent the project from moving forward. A stratigraphic test well is the next step to validate these results and to acquire remaining data necessary to develop a North Dakota CO2 SFP application. The EERC generated full carbon life cycle estimates for CCS integration with the RTE ethanol facility. Results indicated that an average 40% reduction in CO2 emissions is possible through CCS implementation. Approximately half of the carbon in the overall life cycle for a dry mill ethanol plant is generated through the fermentation process and emitted to the atmosphere; this is the CO2 stream targeted for CCS. The remaining carbon is attributed to corn feedstock farming (diesel, fertilizer), energy for fuel processing (natural gas, electricity), and transportation (diesel) of the fuel product. Life cycle carbon estimates are also affected by the anticipated energy consumption of a potential capture facility, which depend on the type of CO2 product generated. For example, a 30%–40% net CO2 emission reduction is estimated if a liquefied CO2 facility were incorporated compared to a 40%–50% net CO2 reduction if a supercritical “injection-grade” CO2 product is generated; i.e., more energy is required to further refine the CO2 stream, affecting the full carbon life cycle estimates. A CCS FIP was developed and initiated at the RTE CCS site, resulting in the development of several guidance documents: a CO2 Capture Process Design Package, a North Dakota CO2 geologic Storage Permits Template, and a Public Outreach Package for CCS in North Dakota. General FIP components include CO2 capture system, pipeline and well designs; monitoring, verification, and accounting (MVA) plans; geologic characterization and testing programs; and permitting and outreach plans. Vendor bids were also acquired for the CO2 liquefaction facility. Near-surface characterization (groundwater and soil gas sampling) and geologic characterization (seismic survey) were initiated to inform development of a UIC Class VI-compliant MVA plan compliant with a North Dakota CO2 SFP. Designs (well and geologic testing) were completed for a stratigraphic test well compliant with a North Dakota CO2 SFP. In addition, the outreach plan was executed, including community open houses, meetings with city/county/state officials, and development of public materials. Although other entities continued to mature incentive programs in 2019–2020, California and the Internal Revenue Service (IRS) currently provide the most advanced economic opportunities for CCS integrated with fuel production. The California Low-Carbon Fuel Standard (LCFS) adopted a CCS Protocol in January 2019, allowing submittal of a design-based pathway (DBP) application for an approved temporary (not certified) carbon intensity value for a fully engineered facility. An ethanol–CCS DBP application to the California LCFS Program (officially approved February 28, 2020) was developed to show that the RTE CCS effort meets LCFS requirements. The approved DBP provides confidence to advance the project and supports potential investments. Other entities continue to mature incentive programs. The IRS issued guidance in February 2020 that addresses the definition of beginning of construction and revenue procedure on partnerships for the Enhancement of Carbon Dioxide Sequestration Credit (a.k.a. Section 45Q) CCS tax credit program; the IRS anticipates issuing further guidance on issues such as secure geologic storage, utilization qualifications, and recapture of claimed credits. Maturing incentive programs coupled with workable permitting regulations provide confidence to advance CCS projects in North Dakota and support financial investment to proceed with designing, constructing, and implementing CCS projects at small-scale fuel production facilities. The largest hurdles for CCS implementation at small-scale industrial systems are often business/economic-related (i.e., not technical). Market uncertainty already exists for agriculture-based alternative fuels such as corn ethanol, for which production has increased by ~33%, and prices have correspondingly lowered since 2015. Passing the Section 45Q tax credit program improves economic feasibility for CCS but may require external investors for a small business to achieve maximum benefits. Public–private partnerships with NDIC and DOE have resulted in foundational technical and regulatory knowledge, growing stakeholder confidence, and a pathway to implementation that enables similar industrial CCS projects in the region to advance. This subtask was funded through the EERC–DOE Joint Program on Research and Development for Fossil Energy-Related Resources Cooperative Agreement No. DE-FE0024233. Nonfederal funding was provided by NDIC and RTE. The authors would also like to thank CMG, ESRI, IHS, Neuralog, and Schlumberger for allowing the use of their software packages in support of this work.

42 ENGINEERING↗

Self-healing electrode protection in electrochemical cells

Articles and methods for protection of electrodes in electrochemical cells, including protective material precursor layers for use in electrode protective structures, are provided. Certain embodiments relate to electrode protective structures that comprise protective material precursor layers that, upon direct contact with a liquid electrolyte, cause a reaction product to form between the material of the precursor layer and a component of the electrolyte.

36 MATERIALS SCIENCE↗

Laminated magnetic materials for on-chip magnetic inductors/transformers

A technique relates to a method of forming a laminated multilayer magnetic structure. An adhesion layer is deposited on a substrate. A magnetic seed layer is deposited on top of the adhesion layer. Magnetic layers and non-magnetic spacer layers are alternatingly deposited such that an even number of the magnetic layers is deposited while an odd number of the non-magnetic spacer layers is deposited. The odd number is one less than the even number. Every two of the magnetic layers is separated by one of the non-magnetic spacer layers. The first of the magnetic layers is deposited on the magnetic seed layer, and the magnetic layers each have a thickness less than 500 nanometers.

36 MATERIALS SCIENCE↗

Laminated magnetic materials for on-chip magnetic inductors/transformers

A technique relates to a method of forming a laminated multilayer magnetic structure. An adhesion layer is deposited on a substrate. A magnetic seed layer is deposited on top of the adhesion layer. Magnetic layers and non-magnetic spacer layers are alternatingly deposited such that an even number of the magnetic layers is deposited while an odd number of the non-magnetic spacer layers is deposited. The odd number is one less than the even number. Every two of the magnetic layers is separated by one of the non-magnetic spacer layers. The first of the magnetic layers is deposited on the magnetic seed layer, and the magnetic layers each have a thickness less than 500 nanometers.

36 MATERIALS SCIENCE↗

Catalyst, structures, reactors, and methods of forming same

Structures, catalysts, and reactors suitable for use for a variety of applications, including gas-to-liquid and coal-to-liquid processes and methods of forming the structures, catalysts, and reactors are disclosed. The catalyst material can be deposited onto an inner wall of a microtubular reactor and/or onto porous support structures using atomic layer deposition techniques.

Moulton, Staci A.↗

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

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 (offsite construction) and 3D Printed buildings (onsite construction). Such multi-system integration tasks often require specialized robots and custom end-effectors for handling a range of rigid and non-rigid 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 multi-trade wall assembly composed of structural studs, hygrothermal layer, wall finishing, and electrical fixtures. The study was funded by the Department of Energy's (DOE) 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 for handling these components are included. Detailed comparison of computational toolpath simulations of the robotic assembly process and real-life demonstration of the same is presented. Finally, limitations and lessons learned from this study along with future research recommendations for robotic assembly of more complex multi-trade assemblies, including potential scenarios such as robotic outfitting of facilities in extra-terrestrial environments is included.

advanced manufacturing↗

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↗

Catalyst, structures, reactors, and methods of forming same

Structures, catalysts, and reactors suitable for use for a variety of applications, including gas-to-liquid and coal-to-liquid processes and methods of forming the structures, catalysts, and reactors are disclosed. The catalyst material can be deposited onto an inner wall of a microtubular reactor and/or onto porous support structures using atomic layer deposition techniques.

Moulton, Staci A.↗

HEPTAPOD: Orchestrating High Energy Physics Workflows Towards Autonomous Agency

Many workflows in high-energy-physics (HEP) stand to benefit from recent advances in transformer-based large language models (LLMs). While early applications of LLMs focused on text generation and code completion, modern LLMs now support orchestrated agency: the coordinated execution of complex, multi-step tasks through tool use, structured context, and iterative reasoning. We introduce the HEP Toolkit for Agentic Planning, Orchestration, and Deployment (HEPTAPOD), an orchestration framework designed to bring this emerging paradigm to HEP pipelines. The framework enables LLMs to interface with domain-specific tools, construct and manage simulation workflows, and assist in common utility and data analysis tasks through schema-validated operations and run-card-driven configuration. To demonstrate these capabilities, we consider a representative Beyond the Standard Model (BSM) Monte Carlo validation pipeline that spans model generation, event simulation, and downstream analysis within a unified, reproducible workflow. HEPTAPOD provides a structured and auditable layer between human researchers, LLMs, and computational infrastructure, establishing a foundation for transparent, human-in-the-loop systems.

Menzo, Tony [Alabama U.; Fermilab] (ORCID:00000002↗

Mortar-based Cohesive Zone Model with Application to TRISO Particle Debonding

The U.S. Department of Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program aims to develop predictive capabilities by applying computational methods to the analysis and design of advanced reactor and fuel cycle systems. This program has been providing engineering-scale support for the development of BISON, a high-fidelity and high-resolution fuel performance tool. This report outlines work towards the development of an integrated, mortar-based cohesive zone framework with mechanical contact. We model debonding of tri-structural isotropic (TRISO) layers using a mortar approach, extending the framework used for mechanical contact, using weighted quantities. A bilinear mixed mode traction approach, already used in Jiang et al. (2021), is applied analogously herein to model debonding between TRISO particle layers. The examples include the debonding of the inner pyrolytic carbon (IPyC) from the silicon carbide (SiC) layers, as well as partial and full debonding of the buffer from the IPyC layers. Both 2D and 3D examples are utilized to demonstrate the superior numerical performance of the new mortar approach, which allows for modeling arbitrarily meshed interfaces (i.e., non-matching discretizations).

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

3D TRISO particle-explicit compact meshing

The TRI-structural ISOtropic (TRISO) layered fuel particle is a robust nuclear fuel form offering enhanced safety and performance for advanced reactor concepts, including high-temperature gas-cooled reactors and other Generation IV designs. These poppy-seed-sized particles are embedded in a graphite matrix to form fuel elements that must withstand elevated temperatures and high burn-up levels. The heterogeneous nature of these fuel elements — comprising thousands of randomly distributed TRISO particles — produces complex stress fields and thermal gradients that one- and two-dimensional models cannot accurately capture. While three-dimensional modeling has improved predictions of dimensional changes, internal pressure buildup, and fission product transport under irradiation, current approaches rely on homogenized material properties that are known to have considerable divergence from experimental observations. This work presents a methodology for optimized random packing of TRISO fuel compacts and full three-dimensional mesh generation within the BISON fuel performance code, with each particle coating layer individually discretized. The resulting mesh was demonstrated through heat conduction simulations under representative in-reactor operating conditions, showing strong agreement with expected behavior. This capability enables detailed analysis of particle-to-particle interactions, matrix cracking mechanisms, and the statistical distribution of coating layer failures — all of which directly govern fuel performance and safety margins.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Consequences of long-term water exposure for bulk crystal structure and surface composition/chemistry of nickel-rich layered oxide materials for Li-ion batteries

Water exposure of layered nickel-rich transition metal oxide electrodes, widely used in high-energy lithium-ion batteries, has detrimental effects on the electrochemical performance, which complicates electrode handling and prevents implementation of environmentally benign aqueous processing procedures. Elucidating the degradation mechanisms in play may help rationally mitigate/circumvent key challenges. Here, the bulk structural consequences of long-term (>2.5 years) deuterated water (D2O) exposure of intercalation materials with compositions Li x Ni 0.5 Co 0.2 Mn 0.3 O 2 (NCM523) and Li x Ni 0.8 Co 0.1 Mn 0.1 O 2 (NCM811) are studied by neutron powder diffraction (NPD). Detailed inspection of the NPD data reveals gradual formation of a secondary crystalline phase in all exposed samples, not previously reported for this system. This unknown phase forms faster in liquid- compared to vapor-exposed compounds. Structural modelling of the NPD data shows a stable level of Li/Ni anti-site defects and does not indicate any significant changes in lattice parameters or hydrogen-lithium (D + /Li + ) exchange in the structure. Consequently, the secondary phase formation must take place via transformation rather than modification of the parent material. X-ray photoelectron spectroscopy data indicate formation of LiHCO 3 /Li 2 CO 3 at the surface and a Li-deficient oxide in the sub-surface region of the pristine compounds, and the presence of adsorbed water and transition metal hydroxides at the exposed sample surfaces.

25 ENERGY STORAGE↗

Stochastic generation of electrolyzer anode catalyst layers

Here, we introduce a stochastic methodology to reproduce the complex pore structure observed in commercial iridium catalyst layers. This method preserves the α pore (pores smaller than 250 nm) and β pore (pores greater than or equal to 250 nm) regions of the catalyst layer. The morphology of the generated materials was validated by comparing the pore size distributions of generated materials against those obtained from commercial materials imaged using x-ray nano computed tomography. We further demonstrate that the pore size distributions of the generated materials are statistically indistinguishable from the imaged catalyst layers, indicating that the stochastic methodology is capable of accurately reproducing catalyst layer morphology. Pore network modelling was conducted on the generated catalyst materials to simulate single-phase permeability, electrical conductivity, and ionic conductivity, and these properties were found to be within experimentally measured ranges for electrolyzer catalyst layers. Additionally, simulations were performed on the generated materials with varying ionomer and iridium catalyst loadings. As the ionomer loading is added, proton conductivity increases exponentially, which demonstrates the importance of optimizing ionomer loading, considering that these effects will be exacerbated in the hydration and temperature conditions of operating electrolyzers. The stochastic material generation method presented in this work is a powerful tool for the development of novel low loading catalyst layers, where the effect of various structural parameters on electrolyzer performance characteristics can be explored.

36 MATERIALS SCIENCE↗

Long‐Term Observations of Turbulence Vertical Velocity Spectra in a Convective Mixed Layer: Dependence on Land‐Surface Forcing in the U.S. Southern Great Plains

Doppler lidar vertical velocity retrievals were analyzed for the scale and structure of mixed-layer turbulence over a 7-year period, on fair-weather warm season days (442 cases) in the U.S. Southern Great Plains. Based on the hypothesized influence of land-surface forcing and updraft size on convective boundary layer clouds, a spectral analysis was performed to quantify effects of surface forcing (surface buoyancy flux, friction velocity, and evaporative fraction) on turbulence scale. Significant (order-of-magnitude) variations in spectral density were found in the energy-production subrange and mesoscale regimes. Integral scale decreased with increasing buoyancy flux (and Monin-Obukhov stability parameter), while spectral density in the energy-production subrange increased, implying a transition to buoyancy-driven cellular structures with narrower updrafts. The influence of stability parameter was limited to the neutral to convective transition, and could not explain the wide variation in spectral density in the mesoscale regime. However, high friction velocity (u* > 0.5 m s –1 ) was associated with larger integral scale (updraft width), and a greater portion of spectral density in the mesoscale regime. Lidar profiles and radar reflectivity for individual cases revealed evidence of roll and wave-like structures contributing to mesoscale variability on high friction velocity days, suggesting shear instabilities on days with wetter land surface conditions and smaller buoyancy flux. The role of friction velocity emphasizes the multivariate nature of surface influences on turbulence, and implies that variance-based turbulence closures may not be adequate for capturing effects of surface forcing on updraft size.

54 ENVIRONMENTAL SCIENCES↗

Multiscale Understanding of Surface Structural Effects on High-Temperature Operational Resiliency of Layered Oxide Cathodes

The worldwide energy demand in electric vehicles and the increasing global temperature have called for development of high-energy and long-life lithium-ion batteries (LIBs) with improved high temperature operational resiliency. However, current attention has been mostly focused on cycling aging at elevated temperature, leaving considerable gaps of knowledge in the failure mechanism and practical control of abusive calendar aging and thermal runaway that are highly related to the eventual operational lifetime and safety performance of LIBs. Herein, using a combination of various in situ synchrotron X-ray and electron microscopy techniques, we report a multiscale understanding of surface structure effects involved in regulating the high temperature operational tolerance of polycrystalline Ni-rich layered cathodes. Our results collectively show that an ultraconformal poly (3,4-ethylenedioxythiophene) coating can effectively prevent LiNi 0.8 Co 0.1 Mn 0.1 O 2 cathode from undesired phase transformation and transition metal dissolution on the surface, atomic displacement and dislocations within primary particles, intergranular cracking along the grain boundaries within secondary particles, and intensive bulk oxygen release during high state-of-charge and high temperature aging. As a result, the present work highlights the essential role of surface structure controls in overcoming the multiscale degradation pathways of high-energy battery materials at extreme temperature.

25 ENERGY STORAGE↗