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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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System and method for liquid crystal display system incorporating wire grid polarizers for large scale and large volume stereolithography

The present disclosure relates to a liquid crystal display (LCD) system. The system in one example has a light source for generating unpolarized light, and an LCD screen arranged in a path of transmittance of the unpolarized light. First and second wire grid polarizers are arranged adjacent to the LCD screen and each have a plurality of nano-scale wires, with the first and second wire grid polarizers have differing polarizations. A pitch of each of the nano-scale wires is no larger than one-third a wavelength of the unpolarized light from the light source. The wire grid polarizers create, in connection with operation of the LCD screen, a 2D light mask suitable for initiating the polymerization of an optically curable material.

Duoss, Eric B.↗

Use of wire grid polarizers with liquid crystal display for large-volume stereolithography

Spatial light modulators that use liquid crystal devices (LCDs) to pattern ultraviolet light for vat polymerization suffer from a few limitations: limited range of wavelengths that can be patterned, low damage threshold for incoming light, and low efficiency of light transmission. A monochrome LCD can more efficiently transmit useful wavelengths of light for stereolithography (365–405 nm) than a color LCD, but it still contains two absorptive film polarizers that suffer from the aforementioned limitations. Wire grid polarizers reflect rather than absorb the blocked polarizations of light, resulting in a higher intensity damage threshold. They can also polarize lower wavelength light that is limited only by the wire pitch. In this work, this research investigates the effects of replacing an LCD’s film polarizers with wire grid polarizers to enable polarization and patterning of high intensity UV light, resulting in shorter curing times and the ability to print a wider range of stereolithography feedstocks.

42 ENGINEERING↗

CryoEM structure of the low-complexity domain of hnRNPA2 and its conversion to pathogenic amyloid

hnRNPA2 is a human ribonucleoprotein (RNP) involved in RNA metabolism. It forms fibrils both under cellular stress and in mutated form in neurodegenerative conditions. Previous work established that the C-terminal low-complexity domain (LCD) of hnRNPA2 fibrillizes under stress, and missense mutations in this domain are found in the disease multisystem proteinopathy (MSP). However, little is known at the atomic level about the hnRNPA2 LCD structure that is involved in those processes and how disease mutations cause structural change. Here we present the cryo-electron microscopy (cryoEM) structure of the hnRNPA2 LCD fibril core and demonstrate its capability to form a reversible hydrogel in vitro containing amyloid-like fibrils. Whereas these fibrils, like pathogenic amyloid, are formed from protein chains stacked into β-sheets by backbone hydrogen bonds, they display distinct structural differences: the chains are kinked, enabling non-covalent cross-linking of fibrils and disfavoring formation of pathogenic steric zippers. Both reversibility and energetic calculations suggest these fibrils are less stable than pathogenic amyloid. Moreover, the crystal structure of the disease-mutation-containing segment (D290V) of hnRNPA2 suggests that the replacement fundamentally alters the fibril structure to a more stable energetic state. These findings illuminate how molecular interactions promote protein fibril networks and how mutation can transform fibril structure from functional to a pathogenic form.

59 BASIC BIOLOGICAL SCIENCES↗

Low complexity domains of the nucleocapsid protein of SARS-CoV-2 form amyloid fibrils

The self-assembly of the Nucleocapsid protein (NCAP) of SARS-CoV-2 is crucial for its function. Computational analysis of the amino acid sequence of NCAP reveals low-complexity domains (LCDs) akin to LCDs in other proteins known to self-assemble as phase separation droplets and amyloid fibrils. Previous reports have described NCAP’s propensity to phase-separate. Here we show that the central LCD of NCAP is capable of both, phase separation and amyloid formation. Within this central LCD we identified three adhesive segments and determined the atomic structure of the fibrils formed by each. Those structures guided the design of G12, a peptide that interferes with the self-assembly of NCAP and demonstrates antiviral activity in SARS-CoV-2 infected cells. Our work, therefore, demonstrates the amyloid form of the central LCD of NCAP and suggests that amyloidogenic segments of NCAP could be targeted for drug development.

60 APPLIED LIFE SCIENCES↗

Interplay of folded domains and the disordered low-complexity domain in mediating hnRNPA1 phase separation

Abstract Liquid–liquid phase separation underlies the membrane-less compartmentalization of cells. Intrinsically disordered low-complexity domains (LCDs) often mediate phase separation, but how their phase behavior is modulated by folded domains is incompletely understood. Here, we interrogate the interplay between folded and disordered domains of the RNA-binding protein hnRNPA1. The LCD of hnRNPA1 is sufficient for mediating phase separation in vitro. However, we show that the folded RRM domains and a folded solubility-tag modify the phase behavior, even in the absence of RNA. Notably, the presence of the folded domains reverses the salt dependence of the driving force for phase separation relative to the LCD alone. Small-angle X-ray scattering experiments and coarse-grained MD simulations show that the LCD interacts transiently with the RRMs and/or the solubility-tag in a salt-sensitive manner, providing a mechanistic explanation for the observed salt-dependent phase separation. These data point to two effects from the folded domains: (i) electrostatically-mediated interactions that compact hnRNPA1 and contribute to phase separation and (ii) increased solubility at higher ionic strengths mediated by the folded domains. The interplay between disordered and folded domains can modify the dependence of phase behavior on solution conditions and can obscure signatures of physicochemical interactions underlying phase separation.

59 BASIC BIOLOGICAL SCIENCES↗

Record of Decision: H - LEBT Design Modifications

The LAMP Conceptual Design (LCD) is described in the LAMP Conceptual Design Report. The proposed new configuration of the LAMP H - LEBT encompasses multiple changes to the LCD. The new configuration makes use of a single H - source to supply beam to all LANSCE user stations except IPF; this eliminates one of the H - sources in the LCD, and the associated pulsed merger magnet the use of two such sources required. The source current from the sole H - source is gated on a macropulse-by-macropulse basis using techniques demonstrated at SNS (Spallation Neutron Source), specifically, changes to the RF plasma drive power. A pulsed electrode system is used to match the beam into the LEBT transport line, variable on a macropulse-by-macropulse basis to match the source beam current.

43 PARTICLE ACCELERATORS↗

Using convolutional neural networks to accelerate three-dimensional coherent synchrotron radiation computations

Calculating the effects of coherent synchrotron radiation (CSR) is one of the most computationally expensive tasks in accelerator physics. Here, we use convolutional neural networks (CNNs), along with a latent conditional diffusion (LCD) model, trained on physics-based simulations to speed up calculations. Specifically, we produce the 3D CSR wakefields generated by electron bunches in circular orbit in the steady-state condition. Two datasets are used for training and testing the models: wakefields generated by three-dimensional Gaussian electron distributions and wakefields from a sum of up to 25 three-dimensional Gaussian distributions. The CNNs are able to accurately produce the 3D wakefields ∼250–1000 times faster than the numerical calculations, while the LCD achieves a gain of a factor of ∼34. We also test the extrapolation and out-of-distribution generalization ability of the models. They generalize well on distributions with larger spreads than what they were trained on but struggle with smaller spreads.

43 PARTICLE ACCELERATORS↗

Cybersecurity for Distance Relay Protection

This project is a DOE follow-up effort on the CREDC workshop held on September 13, 2018 in Cambridge, MA to discuss cybersecurity of distance relays, which considered the benefits, vulnerabilities and risk mitigations for the use of communication systems in power system protection. The objectives of this project are to define the taxonomy of relay protection and associated communications; define use cases describing approaches to reduce the cyber-attack surface on those protective relays; and evaluate the loss of operational functional capability from changes to communication coverage. Mitigating controls will also be evaluated to understand if there are other approaches to reduce attack surfaces while maintaining communications or partial communications. Distance relays are used to protect transmission lines of approximately 10 to 300 miles in length, by detecting short circuits (i.e., faults) on the lines and then tripping circuit breakers in the substation. Such protection systems are a subset of the power system and they incorporate sensing, logic and communication functions. Protection system exposure to cyberattack could be drastically limited by disconnecting relays from all vulnerable communication systems, but this may adversely impact overall power system performance in the absence of cyberattack. This project began with a use case analysis of protection systems with communications, as summarized in this report. It continued with modeling, testing and evaluation in a miniature power system (MPS), located in the Western Area Power Administration (WAPA) Electric Power Training Center (EPTC). The project also incorporated feedback from two industry meetings held in February and September 2019. The suggested next steps account for and complement the work already underway with DOE/CESER funding: 1. Study the performance of LCD and PC vs. PUTT, which is less reliant on communication system performance and GPS timing references. The PUTT scheme could prove to be more resilient to cyberattack or communications-related disruption. It could also be more tolerant of message re-routing with SDN/SDR communication systems. On the other hand, it will be more vulnerable to false tripping during dynamic events or to loss of the voltage signal. The optimum choice of scheme may depend on the specific power system and risk assessment. This study could provide a new template for evaluation based on business functions. 2. Research and develop new methods to detect and monitor distributed physical attacks, possibly using drones, video sensors, thermal sensors, machine learning and other advanced techniques. This will help mitigate the impact of cyberattack on the protection system, and will also help mitigate the impact of wild fires. 3. Implement a scalable PKI for use in electric utility protection systems. This will encourage widespread adoption of secure authentication methods that are already available, but not widely used at present. This will help secure engineering access to the relays. 4. Investigate the use of SDN in combination with SDR to achieve better cybersecurity and electromagnetic security of the network, incorporating path variability. This would help secure both engineering access and peer-to-peer GOOSE messaging. 5. Perform additional testing, with operator evaluation of “red button” scenarios, PUTT vs. LCD, relay mis-operations, and other cyberattacks in the EPTC. This is an important advantage of testing in the EPTC rather than by computer simulation or even hardware-in-the-loop simulation; the EPTC is already dedicated to managing the situational awareness, operator response times and other human impacts. One of the project objectives was to settle on a common nomenclature for this problem space. We have concluded that the OSI layer model, supplemented by ANSI device numbers and other IEEE standards, is already well-accepted by the industry. The IEEE PSRC knowledge base provides a great deal of public information

24 POWER TRANSMISSION AND DISTRIBUTION↗

Comparing perceptions of a dimmable LED lighting system between a real space and a virtual reality display

Over the last several decades, designers have used digital screens to view images of real and simulated spaces and make critical design decisions. Screen technology has improved during this time, as technologies like OLED have replaced legacy displays (CRT, plasma, and LCD). These new screens provide a higher pixel resolution, luminous output and contrast ratio. Immersive head-mounted displays now allow designers to view immersive images, and recent developments in real-time rendering have encouraged the uptake of virtual reality (VR) head-mounted displays in mainstream practice and design education. This paper presents an experiment on lighting perception using a series of LED lighting conditions in a real space and a virtual representation of those conditions captured using a 360° high-dynamic-range camera and presented on an HTC Vive Pro HMD. Fifty-three participants were asked to rate each lighting condition by viewing it in a real space (n = 30) or via immersive HDR photographs displayed in a VR HMD (n = 23). The results show that ratings of visual comfort, pleasantness, evenness, contrast and glare are similar between the HTC Vive Pro HMD and our real space when evaluating well-lit scenes, but significant differences emerge in dim and highly contrasted scenes for a number of rating scales.

Rockcastle, S.↗

Modeling the Effect of Film Morphology on the Performance of an OLED Device

Organic Light Emitting Diode (OLED) technology is replacing the liquid crystal displays (LCD) in cell phones and is also expected to impact television displays in the future. Dow has an active OLED research program. To complement and ultimately drive this effort, it is necessary to develop efficient computational screening tools for selection and optimization of target molecules. To this end we sought to identify and expand on existing models used by Dow that can better predict the mobility of electrons and holes in organic materials. We focused on N,N'- bis(1-naphthyl)-N,N'-diphenyl-1,1'-biphenyl-4,4'-diamine (NPD), frequently used in academic studies of organic light-emitting diodes; we also studied 4,4'-Bis(N-carbazolyl)-1,1'-biphenyl (CBP), tris(4-carbazoyl-9-ylphenyl)amine (TCTA), and bathophenanthroline (BPhen). We developed a workflow, using a combination of molecular dynamics and quantum chemistry calculations, to predict trends in the electronic structure that correlate with measured electron and hole mobilities of small molecule materials such as NPD for OLEDs, comparing with measurements in the literature and at Dow. This work comprised a first step toward predictive charge carrier mobilities in small-molecule electronic materials with complex morphologies.

47 OTHER INSTRUMENTATION↗

Cradle-to-Grave Lifecycle Analysis of U.S. Light-Duty Vehicle-Fuel Pathways: A Greenhouse Gas Emissions and Economic Assessment of Current (2020) and Future (2030-2035) Technologies

This study provides a comprehensive life cycle analysis (LCA), or cradle-to-grave (C2G) analysis, of the cost and greenhouse gas (GHG) emissions of a variety of vehicle-fuel pathways, the levelized cost of driving (LCD) and cost of avoided GHG emissions. The C2G analysis assesses light duty midsize sedans and small sport utility vehicles (SUVs) across a variety of vehicle-fuel technology pathways, including conventional internal combustion engine vehicles (ICEVs), flexible hybrid electric vehicles (HEVs), plug-in hybrid electric vehicles (PHEVs), battery electric vehicles (BEVs) with varying vehicle ranges, and fuel cell electric vehicles (FCEVs). Coming at a timely manner, given the marked increase, since 2016, in climate aspirations announced by governmental institutions and private firms both in the US and across the globe, this analysis builds on a previous comprehensive life cycle analysis, updating that study’s 2016 assumptions and methods (Elgowainy et al. 2016). These updates incorporate technological advances and changes in energy supply sources that have emerged during the intervening period. Utilizing these updated assumptions and methods, alongside more recent data, the present report accounts for a broader range of vehicle technologies and considers both current (2020) and expected future (2030-2035) conditions. Reflecting increased research interest in synthetic liquid fuels produced using renewable low-carbon electricity and CO 2 sources, electro-fuels (a.k.a. e-fuels) were added to the potential future fuel technologies that are evaluated. This study takes a “pathway” approach rather than a “scenario” approach; hence distinct, technically feasible, routes or sequences of processes starting with one or more feedstocks and ending with an intermediate or a final product are examined, not necessarily constrained by practical feedstock, economic, policy, and market considerations.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Cradle-to-Grave Lifecycle Analysis of U.S. Light-Duty Vehicle-Fuel Pathways: A Greenhouse Gas Emissions and Economic Assessment of Current (2020) and Future (2030-2035) Technologies

This study provides a comprehensive life cycle analysis (LCA), or cradle-to-grave (C2G) analysis, of the cost and greenhouse gas (GHG) emissions of a variety of vehicle-fuel pathways, the levelized cost of driving (LCD) and cost of avoided GHG emissions. The C2G analysis assesses light duty midsize sedans and small sport utility vehicles (SUVs) across a variety of vehicle-fuel technology pathways, including conventional internal combustion engine vehicles (ICEVs), flexible hybrid electric vehicles (HEVs), plug-in hybrid electric vehicles (PHEVs), battery electric vehicles (BEVs) with varying vehicle ranges, and fuel cell electric vehicles (FCEVs). In evaluating the vehicle-fuel combinations, this study considers both low-volume and high-volume “CURRENT TECHNOLOGY” cases (nominally 2020) and a high-volume “FUTURE TECHNOLOGY” lower-carbon case (nominally 2030–2035).

33 ADVANCED PROPULSION SYSTEMS↗

Record of Decision: MEBT Energy Change

The LAMP Conceptual Design (LCD), as described in the LAMP Conceptual Design Report incorporates a radiofrequency quadrupole (RFQ) with an output beam energy of 3.0-MeV; the medium energy beam transport line (MEBT) transports beam from the end of the RFQ into the first LAMP drift tube linac (DTL) tank. The MEBT contains components, such as rebunchers and beam choppers, designed for the specific output energy of the RFQ, and the DTL tank is designed to accept this beam energy.

43 PARTICLE ACCELERATORS↗

Record of Decision: LEBT Energy Change

The LAMP Conceptual Design (LCD), as described in the LAMP Conceptual Design Report incorporates multiple 100-keV low-energy beam transport (LEBT) lines between the ion sources and the radiofrequency quadrupole (RFQ). The LEBT lines transport H + and H - beams from their respective ion sources to the RFQ entrance, and provide the required manipulations (focusing, steering, chopping, etc.) to the ion beams to prepare them for injection into the RFQ and further acceleration.

43 PARTICLE ACCELERATORS↗

Polymer Nanocomposite Sensors with Improved Piezoelectric Properties through Additive Manufacturing

Additive manufacturing (AM) technology has recently seen increased utilization due to its versatility in using functional materials, offering a new pathway for next-generation conformal electronics in the smart sensor field. However, the limited availability of polymer-based ultraviolet (UV)-curable materials with enhanced piezoelectric properties necessitates the development of a tailorable process suitable for 3D printing. This paper investigates the structural, thermal, rheological, mechanical, and piezoelectric properties of a newly developed sensor resin material. The polymer resin is based on polyvinylidene fluoride (PVDF) as a matrix, mixed with constituents enabling UV curability, and boron nitride nanotubes (BNNTs) are added to form a nanocomposite resin. The results demonstrate the successful micro-scale printability of the developed polymer and nanocomposite resins using a liquid crystal display (LCD)-based 3D printer. Additionally, incorporating BNNTs into the polymer matrix enhanced the piezoelectric properties, with an increase in the voltage response by up to 50.13%. This work provides new insights for the development of 3D printable flexible sensor devices and energy harvesting systems.

42 ENGINEERING↗