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DOE OSTI2024

Characterization of build parameters and microstructure in low heat input WAAM of Ni-based superalloy Haynes 282

Conference paper for 2024 10th International Conference on Advances in Materials, Manufacturing & Repair for Power Plants. Ni-based superalloy Haynes 282 is a prime candidate for advanced power generation systems due to its superior fabricability, weldability, and high-temperature performance. Additive manufacturing offers potential cost and time savings for gas turbine components. Wire-arc direct energy deposition can create large components but often requires post-processing treatments, such as hot isostatic pressing (HIP), to address porosity. This study explores a low heat-input, high deposition rate GMAW process to achieve fully dense Haynes 282 without HIP. Twenty-one blocks were deposited, varying travel and wire feed speeds. Initial analysis (visual inspection, microstructural examination, and CT) revealed the impact of build parameters on internal porosity and defects. Scanning electron microscopy provided insights into structural heterogeneity and microstructural properties. Related journal article can be found at https://doi.org/10.31399/asm.cp.am-epri-2024p0001.

Adam, Benjamin↗

NASA NTRS1994

(abstract) Gravity Investigation of the Manson Impact Structure, Iowa

The Manson Impact Structure (MIS) is located in northwest Iowa, has an age of approximately 74 Ma, and diameter of approximately 35 km. MIS is characterized by a central uplift of crystalline rock surounded by a depression filled with breccia and in turn surrounded by a terraced rim of slumped blocks. MIS is buried by glacial till; hence the geology must be studied through coring and geophysical techniques. Here, results of a gravity survey are reported. The residual gravity pattern is complicated by numerous highs and lows associated with density variations within the crystalline basement. The gravity data indicate a complex central uplift, perhaps a pitted central peak; a breccia unit approximately 3000 m thick surrounding the central uplift, and a diameter of about 35 km.

impact↗

DOE OSTI2021

Discovery of amivantamab (JNJ-61186372), a bispecific antibody targeting EGFR and MET

A bispecific antibody (BsAb) targeting the epidermal growth factor receptor (EGFR) and mesenchymal–epithelial transition factor (MET) pathways represents a novel approach to overcome resistance to targeted therapies in patients with non–small cell lung cancer. In this study, we sequentially screened a panel of BsAbs in a combinatorial approach to select the optimal bispecific molecule. The BsAbs were derived from different EGFR and MET parental monoclonal antibodies. Initially, molecules were screened for EGFR and MET binding on tumor cell lines and lack of agonistic activity toward MET. Hits were identified and further screened based on their potential to induce untoward cell proliferation and cross-phosphorylation of EGFR by MET via receptor colocalization in the absence of ligand. After the final step, we selected the EGFR and MET arms for the lead BsAb and added low fucose Fc engineering to generate amivantamab (JNJ-61186372). The crystal structure of the anti-MET Fab of amivantamab bound to MET was solved, and the interaction between the two molecules in atomic details was elucidated. Amivantamab antagonized the hepatocyte growth factor (HGF)-induced signaling by binding to MET Sema domain and thereby blocking HGF β-chain—Sema engagement. The amivantamab EGFR epitope was mapped to EGFR domain III and residues K443, K465, I467, and S468. Furthermore, amivantamab showed superior antitumor activity over small molecule EGFR and MET inhibitors in the HCC827-HGF in vivo model. Based on its unique mode of action, amivantamab may provide benefit to patients with malignancies associated with aberrant EGFR and MET signaling.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Pore space partition of metal-organic frameworks for gas storage and separation

Pore space partition (PSP) concept is a synthetic design concept and can also serve as a structure analysis method useful for next-step synthetic planning and execution. PSP provides an integrated chemistry-topology-focused tool to design new materials platforms. While PSP is no less effective for making large-pore materials, the growing importance of small-molecule gas storage and separation for green-energy applications provides impetus for developing small-pore materials for which the PSP strategy is uniquely suited. Currently, the best embodiment of the PSP concept is the partitioned-acs (pacs) platform in which both fine or coarse adjustments to the building blocks have sparked a transformation of a prototype framework into a huge and continuously expanding family of chemically robust materials with controllable pore metrics and functionalities suitable for tailored applications. The pacs compositional diversity results from the platform’s intrinsic multi-module nature, geometric flexibility and tolerance towards individual module variations, and mutual structure-directing effects among various modules, all of which combine to enable the molecular-level uniform co-assemblies of chemical components rarely seen together elsewhere. Here, in this contribution, we present an overview of different pore space engineering methods and how different MOF materials have contributed to important advances in chemical stability, industrial gas storage and gas separation. In particular, we will focus on synthetic assembly of the pacs system, highlighting the differences of pacs materials from other MOF platforms and advantages of pacs materials in enhancing various MOF properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Effect of the Lignin Structure on the Physicochemical Properties of Lignin-Grafted-Poly(ε-caprolactone) and Its Application for Water/Oil Separation

Lignin-grafted poly(ε-caprolactone) copolymers (lignin-g-PCLs) have shown wide application potentials in coatings, biocomposites, and biomedical fields. However, the structural heterogeneity of lignin affecting the structures and properties of lignin-g-PCL has been scarcely investigated. In this study, kraft lignin is fractionated into four precursors, namely, F ins , F1, F2, and F3, with declining molecular weights and increased hydroxyl contents. Lignin-g-PCLs are synthesized via ring-opening polymerization of ε-caprolactone with lignin and characterized by GPC, FTIR, 1 H and 31 P NMR, DSC, TGA, and iGC. The mechanical properties, UV barrier, and enzymatic biodegradability of the lignin-g-PCLs are evaluated. Results show that lignin with a higher molecular weight and aliphatic OH favors the copolymerization, leading to lignin-g-PCLs with longer PCL arms. Moreover, lignin incorporation improves the thermal stability, hydrophobicity, and UV-blocking ability but reduces the lipase hydrolyzability of the copolymers. We also demonstrated that the lignin-g-PCL-coated filter paper could successfully separate chloroform–, petroleum ether–, and hexane–water mixtures with an efficiency up to 99.2%. The separation efficiency remains above 90% even after 15 cycles. The structural differences of copolymers derived from the fractionation showed minimal influence on the separation efficiency. This work provides new insights into lignin-based copolymerization and the versatility of lignin valorization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Symmetry-Breaking and Self-Sorting in Block Copolymer-Based Multicomponent Nanocomposites

Co-assembly of inorganic nanoparticles (NPs) and nanostructured polymer matrix represents an intricate interplay of enthalpic or entropic forces. Particle size largely affects the phase behavior of the nanocomposite. Theoretical studies indicate that new morphologies would emerge when the particles become comparable to the soft matrix's size, but this has rarely been supported experimentally. By designing a multicomponent blend composed of NPs, block copolymer-based supramolecules, and small molecules, a 3-D ordered lattice beyond the native BCP's morphology was recently reported when the particle is larger than the microdomain of BCP. The blend can accommodate various formulation variables. In this work, when the particle size equals the microdomain size, a symmetry-broken phase appears in a narrow range of particle sizes and compositions, which we named the "train track" structure. In this phase, the NPs aligned into a 3-D hexagonal lattice and packed asymmetrically along the c axis, making the projection of the ac and the bc plane resemble train tracks. Computational studies show that the broken symmetry reduces the polymer chain deformation and stabilizes the metastable hexagonally perforated lamellar morphology. Given the mobility of the multicomponent blend, the system shows a self-sorting behavior: segregating into two macroscopic phases with different nanostructures based on only a few nanometers NP size differences. Smaller NPs form "train track" morphology, while larger NPs form a "simple hexagon" structure, where the NPs take a symmetric hexagonal arrangement. Detailed structural evolution and simulation studies confirm the systematic-wide cooperativity across different components, indicating the strong self-regulation of the multicomponent system.

"train track" morphology↗

NASA NTRSDate not supplied

Flexible Data and Frame Synchronization Structure for the LunaNet PNT Signal

A LunaNet Lunar Augmented Navigation Service (LANS) is being developed to enable a position, navigation, and timing service for future Lunar operations [1]. The signal includes two components. An in-phase data channel signal is spread by a 1.023 MCPS ranging code that provides a high-rate data message at 250 bps and is encoded by a strong Low Density Parity Check (LDPC) code. A pilot channel with a 5.115 MCPS spreading code is also provided. The pilot code is configured with a secondary (overlay) code that does not currently provide absolute time or frame Synchronization as is the case for L1C [2] [3]. This work shows the advantage of implementing an overlay structure that provides absolute time for the LunaNet LANS signal structure known as the Augmented Forward Signal (AFS). The LunaNet AFS structure was developed to service two classes of user receivers. The first class is a low-complexity user receiver that only receives the 1.023 MCPS signal and does not use the 5.115 MCPS pilot channel. For this class of user, a data frame Sync word is needed. The second class of receiver is a high-end receiver that can processes both data and pilot channels to take advantage of the higher chip rate pilot channel for enhanced robustness and improved accuracy. In the current draft LunaNet LANS AFS design, these users must employ the frame Sync word in the data channel and obtain absolute time after decoding the AFS navigation message [2]. The signal structure would greatly benefit from the addition of a pilot overlay structure that provides absolute time and robust frame Sync for high-end users as done for L1C [3]. To provide a more robust and interoperable AFS structure, this work summarizes a study and recommends alternatives for a new overlay code on the pilot channel that provides absolute time and a Sync word approach on the data channel. The overlay code and Sync word are designed to allow for flexible and robust data synchronization for both low- complexity and high-end user receivers. The new overlay code structure permits frame synchronization performance that is as good as or better than the L1 C signal, while enabling a determination of absolute time upon frame Sync to aid high-end assisted LANS AFS user receivers at low signal to noise levels. We also present the design of rate-matched 5G new radio (5GNR) LDPC codes that fit within the current 6000-symbol frame size along with a time of interval (TOI) word, frame ID (FID) word, and the remaining LunaNet AFS data message blocks. The paper describes and demonstrates robust frame Synchronization performance of the overlay code and Synch word approaches. The results are described in terms of probability of missed detection and probability of false alarm for a correct frame Synchronization at low Eb/No levels expected for decoding the TOI word and LDPC encoded data. Advantages of the proposed data Synchronization structure will be described along with use cases for low-end and high-end receivers. Practical implementation considerations will also be described.

Philip Dafesh↗

NASA NTRSDate not supplied

Flexible Data and Frame Synchronization Structure for the LunaNet PNT Signal

A LunaNet Lunar Augmented Navigation Service (LANS) is being developed to enable a position, navigation, and timing service for future Lunar operations. The signal includes two components. An in-phase data channel signal is spread by a 1.023 MCPS ranging code that provides a high-rate data message at 250 bps and is encoded by a strong Low Density Parity Check (LDPC) code. A pilot channel with a 5.115 MCPS spreading code is also provided. The pilot code is configured with a secondary (overlay) code that does not currently provide absolute time or frame Synchronization as is the case for L1C. This work shows the advantage of implementing an overlay structure that provides absolute time for the LunaNet LANS signal structure known as the Augmented Forward Signal (AFS). The LunaNet AFS structure was developed to service two classes of user receivers. The first class is a low-complexity user receiver that only receives the 1.023 MCPS signal and does not use the 5.115 MCPS pilot channel. For this class of user, a data frame Sync word is needed. The second class of receiver is a high-end receiver that can processes both data and pilot channels to take advantage of the higher chip rate pilot channel for enhanced robustness and improved accuracy. In the current draft LunaNet LANS AFS design, these users must employ the frame Sync word in the data channel and obtain absolute time after decoding the AFS navigation message. The signal structure would greatly benefit from the addition of a pilot overlay structure that provides absolute time and robust frame Sync for high-end users as done for L1C. To provide a more robust and interoperable AFS structure, this work summarizes a study and recommends alternatives for a new overlay code on the pilot channel that provides absolute time and a Sync word approach on the data channel. The overlay code and Sync word are designed to allow for flexible and robust data synchronization for both low- complexity and high-end user receivers. The new overlay code structure permits frame synchronization performance that is as good as or better than the L1 C signal, while enabling a determination of absolute time upon frame Sync to aid high-end assisted LANS AFS user receivers at low signal to noise levels. We also present the design of rate-matched 5G new radio (5GNR) LDPC codes that fit within the current 6000-symbol frame size along with a time of interval (TOI) word, frame ID (FID) word, and the remaining LunaNet AFS data message blocks. The paper describes and demonstrates robust frame Synchronization performance of the overlay code and Synch word approaches. The results are described in terms of probability of missed detection and probability of false alarm for a correct frame Synchronization at low Eb/No levels expected for decoding the TOI word and LDPC encoded data. Advantages of the proposed data Synchronization structure will be described along with use cases for low-end and high-end receivers. Practical implementation considerations will also be described.

LunaNet↗

DOE OSTI2024

Highly Responsive Polar Vortices in All‐Ferroelectric Heterostructures

Abstract The discovery of polar vortices and skyrmions in ferroelectric‐dielectric superlattices [such as (PbTiO 3 ) n /(SrTiO 3 ) n ] has ushered in an era of novel dipolar topologies and corresponding emergent phenomena. The key to creating such emergent features has generally been considered to be related to counterpoising strongly polar and non‐polar materials thus creating the appropriate boundary conditions. This limits the utility these materials can have, however, by rendering (effectively) half of the structure unresponsive to applied stimuli. Here, using advanced thin‐film deposition and an array of characterization and simulation approaches, polar vortices are realized in all‐ferroelectric trilayers, multilayers, and superlattices built from the fundamental building block of (PbTiO 3 ) n /(Pb x Sr 1− x TiO 3 ) n wherein in‐plane ferroelectric polarization in the Pb x Sr 1− x TiO 3 provides the appropriate boundary conditions. These superlattices exhibit substantially enhanced electromechanical and ferroelectric responses in the out‐of‐plane direction that arise from the ability of the polarization in both layers to rotate to the out‐of‐plane direction under field. In the in‐plane direction, the layers are found to be strongly coupled during switching and when heterostructured with ferroelectric‐dielectric building blocks, it is possible to produce multistate switching. This approach expands the realm of systems supporting emergent dipolar texture formation and does so with entirely ferroelectric materials thus greatly improving their responses.

Kavle, Pravin↗

DOE OSTI2022

Design and Preparation of Nematic Colloidal Particles

Colloidal systems are abundant in technology, in biomedical settings, and in our daily life. The so-called “colloidal atoms” paradigm exploits interparticle interactions to self-assemble colloidal analogs of atomic and molecular crystals, liquid crystal glasses, and other types of condensed matter from nanometer- or micrometer-sized colloidal building blocks. Nematic colloids, which comprise colloidal particles dispersed within an anisotropic nematic fluid host medium, provide a particularly rich variety of physical behaviors at the mesoscale, not only matching but even exceeding the diversity of structural and phase behavior in conventional atomic and molecular systems. This feature article, using primarily examples of works from our own group, highlights recent developments in the design, fabrication, and self-assembly of nematic colloidal particles, including the capabilities of preprogramming their behavior by controlling the particle’s surface boundary conditions for liquid crystal molecules at the colloidal surfaces as well as by defining the shape and topology of the colloidal particles. Here recent progress in defining particle-induced defects, elastic multipoles, self-assembly, and dynamics is discussed along with open issues and challenges within this research field.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

Electrocatalytic cleavage of lignin model dimers using ruthenium supported on activated carbon cloth

Biomass lignin is the largest natural source of renewable aromatic compounds, creating an opportunity for its use as a feedstock provided that deconstruction and upgrading methods become available. Valorization of lignin is challenging because its complex structure is naturally recalcitrant to biological degradation. Deconstruction of this amorphous cross-linked polymer requires cleavage of aryl ether bonds, which account for more than half of the linkages between lignin's phenylpropanoid building blocks. High temperature cracking of lignin is possible via pyrolysis, but linkages such as 4-O-5 bonds are resistant to thermal degradation. Electrocatalytic hydrogenation offers a mild alternative; operated at low temperature and atmospheric pressure, it cleaves ether bonds while saturating aromatic rings with in situ generated hydrogen. To investigate the use of catalytic ruthenium supported on activated carbon cloth to cleave 4-O-5 bonds, model compounds that exhibit this linkage were selected, including 3-phenoxyphenol, 4-phenoxyphenol, 3-phenoxyanisole, and 3-phenoxytoluene. The two phenols, 3-phenoxyphenol and 4-phenoxyphenol, were cleaved and hydrogenated to form cyclohexanol. 3-Phenoxyanisole and 3-phenoxytoluene were also cleaved but with lower conversion rates and cyclohexanol yields. Alkaline electrolyte solutions showed the highest cyclohexanol yields for both substrates. Increasing substrate concentrations from 10 mM to 40 mM increased faradaic efficiency to 25%, while decreasing current density from 100 mA (33.33 mA cm -2 ) to 20 mA (6.67 mA cm -2 ) greatly improved the faradaic efficiency to 96%.

09 BIOMASS FUELS↗

DOE OSTI2025

Dynamics of amphiphilic PEG–PDMS–PEG triblock copolymer assemblies

Here, the size and stability of micelles and vesicles determine the uptake capacity of guest molecules, thereby influencing potential applications in drug/gene delivery, bioreactors, and templates for nanoparticle synthesis. Polyethylene glycol (PEG) and polydimethylsiloxane (PDMS) are commonly used in these applications. We discovered that PEG-PDMS-PEG triblock copolymers can assemble into micelles and vesicles, making them valuable for dynamic studies to derive the bending elasticity, $κ_η$, which governs the stability these objects. We analyzed the structure using cryogenic transmission electron microscopy and small-angle neutron scattering. We investigated the dynamics through dynamic light scattering and neutron spin echo spectroscopy. By varying the number of repeating units in the hydrophilic block, we created micellar (PEG 28 -PDMS 15 -PEG 28 ) and vesicular systems (PEG 14 -PDMS 15 -PEG 14 ). For the vesicle, membrane rigidity was determined from experiments to be $κ_η$ =(16 ± 2) $k_BT$, where $k_BT$ is the thermal energy ($k_B$ Boltzmann’s constant and T is the temperature). According to Zilman and Granek's concept, membrane rigidity reflects height-height fluctuations within the membrane layer. Compared to polymers at the oil-water interface of a microemulsion, the membrane rigidity in polymersomes is over an order of magnitude higher, indicating significantly enhanced stability. This value closely aligns with that of liposomes, suggesting similar stability between polymersomes and liposomes.

Gupta, Sudipta [Louisiana State Univ., Baton Rouge↗

DOE OSTI2022

A Current Limiting Control Strategy for Single-Loop Droop-Controlled Grid-Forming Inverters Under Balanced and Unbalanced Faults

Existing studies reporting current limiting control strategies for grid-forming inverters primarily focus on grid-forming inverters that use a multi-loop control structure. This study reports a current limiting control for grid-forming inverters that uses a single-loop control structure. The proposed current limiting control was implemented at the pulse width modulation (PWM) control layer to guarantee a rapid response. Once an overcurrent caused by severe faults is detected, the proposed control strategy immediately blocks relevant insulated-gate bipolar transistors (IGBTs) using a hysteresis loop, ensuring that the overcurrent is limited within a few PWM cycles. After the fault is cleared, the inverter seamlessly transfers back to droop control mode to maintain stability. The current limiting control has been tested in a microgrid environment operating in the OPAL-RT platform. Study results show that the control strategy can effectively limit the overcurrent under both balanced and unbalanced faults and can maintain system transient stability after the fault is cleared.

Du, Wei↗

DOE OSTI2021

A toolbox for $$q_{T}$$ and 0-jettiness subtractions at $$\hbox {N}^3\hbox {LO}$$

We derive the leading-power singular terms at three loops for both $q_T$ and 0-jettiness, $T_0$, for generic color-singlet processes. Our results provide the complete set of differential subtraction terms for $q_T$ and $T_0$ subtractions at N 3 LO, which are an important ingredient for matching N 3 LO calculations with parton showers. We obtain the full three-loop structure of the relevant beam and soft functions, which are necessary ingredients for the resummation of $q_T$ and $T_0$ at N 3 LL' and N 4 LL order, and which constitute important building blocks in other contexts as well. The nonlogarithmic boundary coefficients of the beam functions, which contribute to the integrated subtraction terms, are not yet fully known at three loops. By exploiting consistency relations between different factorization limits, we derive results for the $q_T$ and $T_0$ beam function coefficients at N 3 LO in the z→1 threshold limit, and we also estimate the size of the unknown terms beyond threshold.

Physics↗

DOE OSTI2020

High-Level Considerations for Access and Access Controls by Design

Nuclear power plants must be, by design and construction, robust structures and difficult to penetrate. Limiting access with difficult-to-penetrate physical barriers is going to be key for staffing reduction. Ideally, for security, the reactors would be sited underground, beneath a massive solid block, too thick to be penetrated by tools or explosives with all communications and power transfer lines also underground and fortified. Having the minimal possible number of access points and methods to completely block access from these points if a threat is detected will greatly help us justify staffing reduction.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2023

A Time-Gated, Time-Correlated Single-Photon-Counting Lidar to Observe Atmospheric Clouds at Submeter Resolution

Most lidars used for cloud observations have the range resolution of about 10 m, so they are incapable of resolving submeter-scale processes that are crucial to cloud evolution. This article describes a prototype of a ground-based, vertically pointing, time-gated, time-correlated single-photon-counting lidar (referred to as the T2 lidar) developed to explore atmospheric clouds at range resolution two orders of magnitude finer than traditional atmospheric lidars. The T2 lidar emits green-light pulses (532 nm) at a repetition rate of 20.6 kHz and a pulse width of ∼650 ps, which enables the observation of aerosol and cloud layers at heights from a few hundred meters to 7.28 km above the ground level at range resolution down to 10 cm. In addition, a digital delay pulse generator controls the detector to only receive photons for a short period after each laser pulse. This time-gated technique blocks photons arriving from regions outside the target zone, thus significantly reducing the noise level and allowing observation even inside clouds. Initial observations show that the T2 lidar can detect sharp cloud boundaries and fine structures near the cloud base. Such refined measurements of cloud structure could lead to an improved understanding of microphysical processes such as droplet activation, entrainment and mixing, and precipitation.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1977

Load control system

The load control system developed for the shuttle external structural tests is described. The system consists of a load programming/display module, and a load control module along with the following hydraulic system components: servo valves, dump valves, hydraulic system components, and servo valve manifold blocks. One load programming/display subsystem can support multiple load control subsystem modules.

Grosse, J. C.↗

NASA NTRS1981

The Joint Airport Weather Studies Project

A block diagram of the joint airport weather studies program is presented. Background leading to the development of the program is reviewed. Basic studies, aircraft performance, and detection and warning techniques used to develop fine scale structure of thunderstorm dynamics and kinematics in the vicinity of a major airport; effect of thunderstorm low level wind shear on aircraft performance; and development of real time testing of flow level wind shear detection and warning techniques and displays are described.

Mccarthy, J.↗