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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.

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At least 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Acetate as a Platform for Carbon-Negative Production of Renewable Fuels and Chemicals (Final Technical Report)

This project was an industrial-academic collaboration between experts at the University of Wisconsin-Madison, the University of Kentucky, and LanzaTech, a world leader in the use of gas fermentation to sustainably produce fuels and chemicals. The project developed technologies to create an integrated process for converting carbon dioxide and renewable hydrogen into molecules that can be blended with liquid transportation fuels or used in an array of chemical applications. The project was motivated by the Program Objectives of eliminating carbon dioxide release in the production of chemicals by integrating the unique and efficient capabilities of two microorganisms into a single process. The first microbe, an acetogen, produces acetate from carbon dioxide and hydrogen while the second microbe upgrades acetate from acetogen fermentation permeates to higher-value chemical products. The carbon dioxide released in the upgrading process is recycled internally to produce more acetate. As such, the process can be designed to operate with zero carbon dioxide release and net positive carbon dioxide capture. The process has the potential to provide an alternative paradigm to the current bioeconomy – one in which acetate is the primary energy carrier instead of sugars. Our process by-passes photosynthesis and the barriers created by biomass as primary chemical feedstock. As such, the process can be scaled to meet existing sources of carbon dioxide emissions and located anywhere renewable hydrogen can be provided. Our work developed microorganisms with optimized metabolism for producing acetate and other microorganisms with improved conversion of acetate to dodecanol and dodecyl-acetate. We developed synthetic biology tools for a promising non-model bacterium that could enhance metabolic engineering efforts to convert acetate to chemical products. We conducted protein engineering studies to improve the activity of key enzymes involved in our metabolic pathways. We conducted a full technoeconomic analysis that set technical targets for each strain to meet economic goals. We identified key technical barriers in our process and proposed strategies to overcome them.

09 BIOMASS FUELS↗
DOE OSTI2023

Visual Style Elements in Human–System Interface Design for Nuclear Power Operations: Does Style Affect Performance and Preference?

As the world increasingly adopts renewable and sustainable energy systems, transitionary solutions include nuclear power, which currently provides 20% of the United States’ electricity and is the largest single source of carbon-free electricity generation. Advanced reactors are a critical component of a carbon-free mixed energy portfolio that require careful design of first-of-a-kind control rooms. The application of Human Factors Engineering (HFE) is essential for scientific and iterative testing of novel human–system interface (HSI) concepts to ensure effective, efficient, and safe plant operations. Microworlds are simulators that use simplified physics models and control systems to distill nuclear power operations into essential functions. HFE scientists used the Rancor Microworld Simulator to obtain preference and performance metrics for novel and traditional static HSI design styles. Participants comprised advanced reactor company employees and nuclear industry consultants. A mixture of quantitative and qualitative data was captured. There was a preference for the basic graphical style that included high contrast and traditional color scheme elements. No single HSI design outperformed the others, and the participants did not perform better using their preferred HSI style. We report this experiment is the first in a series of HFE testing for HSIs in advanced reactor control room development. Clear user preferences emerged for elements within static displays. The cutting-edge neumorphic style was the least preferred. Future directions include tests of dynamic displays. HFE is used in evaluating and designing HSI devices that will improve the efficiency and safety of advanced nuclear power operations.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2020

Performance of Scintillation Detectors Based on Quantum Dots in a Semiconductor Matrix (Final Technical Report)

InAs Quantum Dots (QDs) embedded into GaAs semiconductor waveguide have unique scintillation properties, valuable for nuclear security, medical imaging, and high energy physics. In this work, we developed thick (~25um) epitaxial heterostructres with high luminescence efficiency composed of self-assembled nano-engineered InAs QDs grown by molecular beam epitaxy. In this type of detector, the GaAs matrix acts as a stopping material for charged particles or photons generating electrons captured by the QDs acting as luminescence centers. The QD medium is designed to provide fast capture of electrons into QDs (few ps), high QD luminescence efficiency at room temperature (>50%), and strong red-shift of photoluminescence (PL) from the GaAs absorption edge (>250nm). Typical devices consist of a 10-25um thick GaAs layer with embedded sheets of modulation p-type doped InAs QDs and an InGaAs photodetector tuned to the QD emission wavelength. The thick GaAs layer acts also as a waveguide when layer-transferred onto a low-index substrate. Waveguiding and self-absorption (~1cm -1 ) were studied using photoluminescence with scanning laser excitation and modeled with ray optics approximation and geometrical coupling of high-index waveguide to a collection fiber. Scintillating signals from α-particles were analyzed with both an external photodiode (PD) and an integrated PD which provided an improved optical coupling. In the former case, the external InGaAs PD was air-coupled to the scintillator and had the light collection efficiency of about 1% corresponding to limited light extraction through a planar interface with air due to total internal reflection. The mean charge collected by the integrated PD was in the range of (3÷5)×10 4 photoelectrons per 1 MeV of deposited energy, or ~13-20% of the theoretically achievable light yield. Timing of the integrated device was measured by wire-bonding it to the input of an 8 GHz IC. The scintillation response shows an extremely fast 0.3-0.6 ns decay constant and about 40-70 ps time resolution, limited by the system noise. The combined light yield and decay time makes the InAs/GaAs QD heterostructures the fastest high yield scintillation material reported making it valuable for high energy physics and medical imaging applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2021

Developing Multi-Gene CRISPRa/I Programs to Accelerate DBTL Cycles in ABF Hosts Engineered for Chemical Production (CRADA 468)

Bacterial metabolism is comprised of large and complex gene networks that can produce valuable chemical products. Sophisticated organism engineering efforts are required to optimize production of high-value compounds from these networks. In principle, synthetic multi-gene transcriptional programs could be constructed to reengineer these networks for efficient industrial chemical production. In practice, however, our incomplete ability to understand and model the underlying networks, combined with our limited ability to predictably control the expression of multiple genes makes achieving this goal difficult. To overcome these challenges, we will combine new CRISPR-Cas multi-gene expression programs with computational modeling, machine learning, and multi-omics data to enhance the efficacy of design-build-test-learn (DBTL) cycles. For industrially promising microorganisms in early stages of development, creating technologies for rapidly engineering complex multi-gene programs could be transformative for accelerating data- and model-driven strain design. New CRISPR-Cas tools allow programmable gene activation (CRISPRa) or repression (CRISPRi) at multiple genes simultaneously, using the catalytically inactive Cas9 protein (dCas9) with guide RNAs that recognize DNA targets through predictable Watson-Crick base pairing. To enable accelerated DBTL cycles, we will combine these technologies with advanced Agile BioFoundry (ABF) capabilities for multi-omics data collection and machine learning. We will demonstrate the immediate applicability of these tools by rapidly improving the production of an industrial aromatic in multiple ABF organisms. We recently identified and optimized new transcriptional activators that can be linked to programmable CRISPR-Cas DNA binding domains to activate gene expression in E. coli. We can now use these CRISPRa tools as generalizable trans-acting regulators for combinatorial multi-gene expression tuning that can be easily transferred to new pathways and networks without additional genome engineering. We anticipate these tools will also transfer to new hosts. We have recently found that CRISPRa systems developed in E. coli can be readily ported to Pseudomonas putida, suggesting that multi-gene CRISPRa/i programs for diverse ABF organisms may be within reach.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Atomic Layer Deposition of Cu Electrocatalysts on Gas Diffusion Electrodes for CO 2 Reduction

Electrochemical reduction of CO 2 using Cu catalysts enables the synthesis of C 2+ products including C 2 H 4 and C 2 H 5 OH. Here, in this study, Cu catalysts were fabricated using plasma-enhanced atomic layer deposition (PEALD), achieving conformal deposition of catalysts throughout 3-D gas diffusion electrode (GDE) substrates while maintaining tunable control of Cu nanoparticle size and areal loading. The electrochemical CO 2 reduction at the Cu surface yielded a total Faradaic efficiency (FE) > 75% for C 2+ products. Parasitic hydrogen evolution was minimized to a FE of ~10%, and a selectivity of 42.2% FE for C 2 H 4 was demonstrated. Compared to a line-of-sight physical vapor deposition method, PEALD Cu catalysts show significant suppression of C 1 products compared to C 2+ , which is associated with improved control of catalyst morphology and conformality within the porous GDE substrate. Finally, PEALD Cu catalysts demonstrated a stable performance for 15 h with minimal reduction in the C 2 H 4 production rate.

42 ENGINEERING↗
DOE OSTI2026

A Central Plant Retrofit Assessment Guide for Owners

This document offers support to owners considering optimization upgrades, retrofits, or complete replacement of a central plant, with a particular focus on improving energy efficiency and reliability of the central plant, ultimately leading to reduced energy costs. It outlines recommended steps to prepare for and facilitate a thorough central plant assessment, empowering owners to move forward with the appropriate next steps. While the primary focus is on central plants serving commercial and institutional buildings, the principles and recommendations presented can also be adapted for use in other building types, such as industrial or manufacturing facilities.

42 ENGINEERING↗
DOE OSTI2020

Editorial: Proceedings of ICPSBBB 2018 - 2nd International Conference on Plant Synthetic Biology, Bioengineering and Biotechnology

Plant synthetic biology combines engineering principles with plant biology toward the design, construction, and testing of plants with new traits (Liu and Stewart, 2015). Synthetic biology applies engineering principles, using defined genetic parts with the aim of achieving predictable outcomes. The field aims at providing fuels, pharmaceuticals, bioactive metabolites and increased crop yield. Synthetic biology is increasingly forming a framework in genetic transformation of plants allowing us to improve traits and crop performance. The conference on Plant Synthetic Biology, Bioengineering, and Biotechnology covers broad aspects of plant synthetic biology, ranging from tools to the design of predictable functions and precision genome editing, to re-designed photosynthesis, plant bioengineering techniques, and rational design of novel plant traits. This Frontiers in Plant Science virtual issue on the “Research Topic Proceedings of ICPSBBB 2018 - 2nd International Conference on Plant Synthetic Biology, Bioengineering and Biotechnology” consists of 8 publications, including four reviews and four original research articles, which fall into the following general topics: quantitative and genetic parts, evolution, expression of transgenes and epigenetic changes, engineering of stress tolerance and bioproduction.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Advancing Thermal-Hydraulic Modeling Capabilities for Molten Salt Reactors in Pronghorn

This is an M2 report for the NEAMS program. This work focuses on advancing the modeling and simulation capabilities for Molten Salt Reactors (MSRs) within Pronghorn, addressing key thermal-hydraulic challenges that must be addressed for the safe and efficient operation of these advanced reactors. This report summarizes the development and validation of the following new models in Pronghorn: (i) two-equation RANS turbulence models, (ii) near-wall turbulence corrections due to curvature and roughness, and (iii) multidimensional two-phase drift-flux models. For each of these cases, along with the experimental validation, an application study of interest to MSRs is presented. In addition, this report also presents recent improvements in the domain-overlapping coupling between Pronghorn and SAM to address the cases of weakly compressible flow and flow reversal. Finally, an MSR action that greatly simplifies the setup of MSR models using NEAMS tools is described.

42 ENGINEERING↗
DOE OSTI2020

Improved Performance of Cu(InGa)(SeS) 2 PV Modules Using the Reaction of Metal Precursors. Final Report

This project “Improved Performance of Cu(InGa)(SeS) 2 PV Modules using the Reaction of Metal Precursors” was a partnership led by the Institute of Energy Conversion (IEC) at the University of Delaware with Columbia University and the Molecular Foundry at the Lawrence Berkeley National Laboratory. The aim was to develop pathways to improve Cu(InGa)(SeS) 2 (CIGSS) thin film photovoltaic modules using processes compatible with low manufacturing cost. The CIGSS approach investigated was a two-step process including deposition of metal precursor films following by reaction in hydride gases utilizing IEC’s novel reactor. The process was similar to that under commercial development by the project’s industry partner Stion. When Stion went out of business mid-project the focus changed to a rapid thermal process considered more commercially viable. Approaches to improve the performance of solar cells using the reacted films focused on two material innovations. First, the overall Ga content was increased to increase the operating voltage, which is desirable for scale-up to commercial modules. Second, the processing and performance advantages arising from Ag alloying were investigated. Advanced characterization guided process and material development including control of relative composition gradients. Research on the formation of Cu-Ga-In metal precursors utilized sputtering deposition which is normally used in commercial applications. The work resulted in processes for deposition of precursor stacks with increased relative Ga content and effects of deposition parameters on morphology and phase composition were established. It was shown that the metal precursor films have comparable phase composition and morphology so subsequent reaction follows from the same starting point. The addition of Ag to the metal precursors gave more uniform morphology and improved adhesion of reacted films which enable higher reaction temperature for faster processing. A novel outcome was the discovery of a previously undocumented material phase in sputter-deposited and evaporated Ag-Cu-In-Ga thin films. Hydride gas reaction processes including time-temperature-concentration profiles were developed for different precursor compositions. This enables control of composition profiles to engineer through-film gradients for solar cell optimization with characterization and simulations used to correlate measured film composition profiles to measurements of devices. In particular, the gradient of sulfur at the front of the CIGSS film was found to be critical. The simulations guided process development leading to improved reproducibility of devices improved performance with higher Ga content and higher voltage. With Ag-alloyed precursors, the reaction pathways leading were determined. A significant finding was that Ag-alloying increases the reaction rate to completely convert precursor films to the final chalcopyrite which could enable reduced reaction time to benefit manufacturability. To maintain potential commercial viability, the process under investigation was refocused to a rapid thermal process that could potentially be incorporated into an in-line process for manufacturing. Precursors with different composition were capped with an extra selenium layer and reacted in hydrogen sulfide 5-15 minutes, compared to typically 2 hours in the previous multi-step batch process. Critical RTP parameters were identified to control the reaction. Further optimization would be needed for high efficiency solar cells but pathways to high quality devices with further optimization and improved heating uniformity were developed. The project also developed new optoelectronic characterization approaches with a focus on development and application of spatial- and time-resolved photoluminescence and a custom mapping photoluminescence microscope built. It was shown how critical electronic transport properties strongly depend on the chemical composition of the material and that a wide range of samples show inhomogeneity on a length scale larger than the grains in the films. Additionally, two-photon excitation capability was developed to distinguish bulk vs surface losses. The project advances the state-of-the -art for precursor reaction processes in several ways that could impact manufacturing. This includes validation of approaches to increase voltage and establishment of model-guided control to form optimal composition profiles. The application of process control approaches with knowledge of phase formation and reaction pathways can be critically valuable in designing a large-scale process.

14 SOLAR ENERGY↗
DOE OSTI2021

Machine learning-based real-time monitoring system for smart connected worker to improve energy efficiency

Recent advances in machine learning and computer vision brought to light technologies and algorithms that serve as new opportunities for creating intelligent and efficient manufacturing systems. In this study, the real-time monitoring system of manufacturing workflow for the Smart Connected Worker (SCW) is developed for the small and medium-sized manufacturers (SMMs), which integrates state-of-the-art machine learning techniques with the workplace scenarios of advanced manufacturing systems. Specifically, object detection and text recognition models are investigated and adopted to ameliorate the labor-intensive machine state monitoring process, while artificial neural networks are introduced to enable real-time energy disaggregation for further optimization. The developed system achieved efficient supervision and accurate information analysis in real-time for prolonged working conditions, which could effectively reduce the cost related to human labor, as well as provide an affordable solution for SMMs. The competent experiment results also demonstrated the feasibility and effectiveness of integrating machine learning technologies into the realm of advanced manufacturing systems.

42 ENGINEERING↗
DOE OSTI2023

Fabrication of superconducting Nb 3 Sn film by Co-sputtering

High-efficiency SRF cavities are the key technology to construct cost-effective CW SRF accelerators. Improvements in the efficiency of SRF cavities are realized by using novel materials, such as niobium-tin. Advances in niobium-tin coatings on the inner surface of SRF cavities showed the potential for this material to increase the operating temperature of the SRF cavity to above 4 K, leading to significant reduction of the capital and operating cost of SRF accelerators. Among the techniques used to apply the niobium-tin coating to the surface of the SRF cavity is sputtering. Old Dominion University, Jefferson Lab, and Fermilab are collaborating on developing an optimized niobium-tin coating of the inside surface of niobium SRF cavities using a recently-developed cylindrical sputtering system. This research will result in optimized sputtering coating techniques leading to high efficiency SRF structures.

42 ENGINEERING↗
DOE OSTI2023

Effect of Split-Injection Strategies on Engine Performance and Emissions under Cold-Start Operation

The recently concluded partnership for advancing combustion engines (PACE) was a US Department of Energy consortium involving multiple national laboratories focused on addressing key efficiency and emission barriers in light-duty engines. Generation of detailed experimental data and modeling capabilities to understand and predict cold-start behavior was a major pillar in this program. Cold-start, as defined by the time between first engine crank and three-way catalyst light-off, is responsible for a large percentage of NOx, unburned hydrocarbon, and particulate matter emissions in light-duty engines. Minimizing emissions during cold-start is a trade-off between achieving faster three-way catalyst light-off, and engine out emissions during that period. In this study, engine performance, emissions, and catalyst warmup potential were monitored while the engine was operated using a single direct injection (baseline case) as well as a two-way-equal-split direct injection strategy. These injection strategies were analyzed at a range of cold-start-operation relevant retarded spark timings of up to 25 degrees after top dead center of firing (dATDCf). A stoichiometric 2-bar NIMEP steady-state condition was used for all cases to simulate cold-start operation. Significant improvement in engine stability was observed with the two-way-split injection strategy at the retarded spark timings allowing for up to 2.5x increase in exhaust heat rate when engine operation is stability constrained. Similar fuel-loss-to-oil trends with exhaust heat rate were observed for both single and two-way-split injection strategies. However, the two-way split injection was observed to produce higher NOx emissions per unit exhaust heat rate. A single data point run with three-way-split direct injection at a very retarded spark-timing of 30 dATDCf pointed to further improvements in engine stability and reduction in fuel-loss-to-oil as compared to single injection strategy. Engine stability decreased as spark timing was initially retarded with a single injection but was observed to plateau and stabilize beyond spark timing of 10 dATDCf. Finally, for the two-way-split-injection strategy, retarding the start of injection (SOI) timing of the second injection led to a decrease in engine stability as well as an increase in soot emissions.

42 ENGINEERING↗
DOE OSTI2024

Pathway to Decarbonization Through Industrial Energy Efficiency: Micro and Macro Perspectives from Compressed Air Usage

Abstract Energy audits directly provided the industrial sector with reduced energy costs and avoided emissions. Still, they also lead to far-reaching indirect and induced local, regional, and national benefits. This paper aims to present the techno-economic-environmental analysis to achieve decarbonization through implementing industrial energy efficiency at micro and macro levels. An integrated techno-economic-environmental methodology is developed. Case studies of micro-level carbon reduction efforts through industrial energy efficiency technologies are presented. The broader macroeconomic and environmental effects of technology on society are analyzed using data from 206 energy audits of industrial compressed air systems conducted over 13 years. The impacts show that energy-efficient improvements lead to direct cost savings for manufacturers, boost economic activity across sectors, and affect carbon dioxide emissions both short-term and long-term in the region. Given their extensive benefits, energy audits significantly influence policymaking. We devised a methodology to link micro-level energy audit data with macroeconomic and environmental analyses to quantify these cascading benefits. The economic scenario analysis shows that $228 M has been saved from direct industrial energy savings from implementing all compressed air recommendations in the studied periods and the region. In addition, the investment made through manufacturers would create 2,025 jobs and $383 M annually, cascading regional economic impacts. The environmental analysis shows that the regional manufacturers have directly avoided about 2.8 M metric tons of carbon dioxide emissions.

Engineering↗
DOE OSTI2022

Semiconductor: Supply Chain Deep Dive Assessment

In February 2021, President Biden signed Executive Order (EO) 14017, “America’s Supply Chains,” directing seven executive agencies to evaluate the resilience and security of the nation’s critical supply chains and to craft strategies for six industrial bases that underpin America’s economic and national security. See Sec. 3(b) of E.O. 14017. As part of the one-year response to EO 14017, the U.S. Department of Energy (DOE), through the national laboratories, conducted evaluations of the supply chains that encompass the Energy Sector Industrial Base, with a particular focus on technologies required to decarbonize the U.S. by 2050. This report focuses on one of these technologies, semiconductors, both conventional and wide bandgap (WBG) power electronics (PE). As noted in the 100-Day report, conventional semiconductors are a keystone technology that are essential for the operation of nearly every electronic device, including those that are critical to decarbonization, such as electric vehicles (EVs), industrial and building applications, and electricity generation and end use. In addition, power electronics have been applied to industrial equipment to improve energy efficiency and enhance controllability. Power electronics have also been used to improve the reliability of data centers and critical infrastructure, including the stabilization of the electric grid while subjected to disturbances. Increasingly, power electronics are being used to integrate renewable energy and battery storage systems, enabling new grid services and the development of microgrids. It is estimated that 30% of the electricity used in the U.S. passes through power electronic devices, and studies suggest that this number could reach 80% as power electronics are deployed in more markets. Nearly all forms of electrified transportation will depend on power electronics. Power electronic systems utilize high-capacity semiconductor devices at their core. The continued growth in power electronics depends on sustained innovation in the semiconductor industry.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2023

Sustainble dropwise condensation enabled ultraefficient heat pipes

Heat pipes play a critical role in determining the operations, safety, and energy efficiency of electronics. The main focus to improve the heat pipe performance is on the evaporator design or wicking structures. However, the intrinsic limitation comes from the condenser, which is fundamentally constrained by inefficient filmwise condensation (FWC). In this study, we successfully achieved a peak effective thermal conductivity (k eff ) of ~140 kW/(m·K) on widely used groove heat pipes by implementing sustainable dropwise condensation (DWC) and integrating with enhanced evaporator. To better understand the working mechanisms of the ultraefficient heat pipe, both the evaporator and condenser of the heat pipes have been modified accordingly. Our results show that up to 296% enhancements on the k eff can be achieved under various inclination angles by only inducing DWC in the condenser section. The drawback of temperature fluctuations induced by DWC in smooth heat pipes appears to be effectively solved using the grooves-wicking structure. Furthermore, by integrating the nanostructured evaporator, the k eff of the heat pipe can be boosted up to 517% compared to conventional groove heat pipes. This study, for the first time, demonstrates the huge potential of engineering both the condenser and evaporator simultaneously in developing ultraefficient heat pipes.

42 ENGINEERING↗
DOE OSTI2020

Resilience of Urban Transport Network-of-Networks under Intense Flood Hazards Exacerbated by Targeted Attacks

Natural hazards including floods can trigger catastrophic failures in interdependent urban transport network-of-networks (NoNs). Population growth has enhanced transportation demand while urbanization and climate change have intensified urban floods. However, despite the clear need to develop actionable insights for improving the resilience of critical urban lifelines, the theory and methods remain underdeveloped. Furthermore, as infrastructure systems become more intelligent, security experts point to the growing threat of targeted cyber-physical attacks during natural hazards. Here we develop a hypothesis-driven resilience framework for urban transport NoNs, which we demonstrate on the London Rail Network (LRN). We find that topological attributes designed for maximizing efficiency rather than robustness render the network more vulnerable to compound natural-targeted disruptions including cascading failures. Our results suggest that an organizing principle for post-disruption recovery may be developed with network science principles. Our findings and frameworks can generalize to urban lifelines and more generally to real-world spatial networks.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Controller-Based Energy-Aware Wireless Sensor Network Routing Using Quantum Algorithms

Energy-efficient routing in wireless sensor networks has attracted attention from researchers in both academia and industry, most recently motivated by the opportunity to use software-defined network-inspired approaches. These problems are NP-hard, with algorithms needing computation time that scales faster than polynomials in the problem size. Consequently, heuristic algorithms are used in practice, which are unable to guarantee optimally. In this article, we show proof-of-principle for the use of a quantum annealing processor instead of a classical processor, to find optimal or nearly optimal solutions very quickly. Our preliminary results for small networks show that this approach using quantum computing has great promise and may open the door for other significant improvements in the efficacy of network algorithms.

42 ENGINEERING↗
DOE OSTI2024

Liquid Crystal Orientation and Shape Optimization for the Active Response of Liquid Crystal Elastomers

Liquid crystal elastomers (LCEs) are responsive materials that can undergo large reversible deformations upon exposure to external stimuli, such as electrical and thermal fields. Controlling the alignment of their liquid crystals mesogens to achieve desired shape changes unlocks a new design paradigm that is unavailable when using traditional materials. While experimental measurements can provide valuable insights into their behavior, computational analysis is essential to exploit their full potential. Accurate simulation is not, however, the end goal; rather, it is the means to achieve their optimal design. Such design optimization problems are best solved with algorithms that require gradients, i.e., sensitivities, of the cost and constraint functions with respect to the design parameters, to efficiently traverse the design space. In this work, a nonlinear LCE model and adjoint sensitivity analysis are implemented in a scalable and flexible finite element-based open source framework and integrated into a gradient-based design optimization tool. To display the versatility of the computational framework, LCE design problems that optimize both the material, i.e., liquid crystal orientation, and structural shape to reach a target actuated shapes or maximize energy absorption are solved. Multiple parameterizations, customized to address fabrication limitations, are investigated in both 2D and 3D. The case studies are followed by a discussion on the simulation and design optimization hurdles, as well as potential avenues for improving the robustness of similar computational frameworks for applications of interest.

42 ENGINEERING↗