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DOE OSTI2019

Nuclear γ -ray emission from very hot accretion flows

Optically thin accretion plasmas can reach ion temperatures T i ≥ 10 10 K and thus trigger nuclear reactions. Using a large nuclear interactions network, we studied the radial evolution of the chemical composition of the accretion flow toward the black hole and computed the emissivity in nuclear γ -ray lines. In the advection dominated accretion flow (ADAF) regime, CNO and heavier nuclei are destroyed before reaching the last stable orbit. The overall luminosity in the de-excitation lines for a solar composition of plasma can be as high as few times 10 −5 the accretion luminosity ( Ṁc 2 ) and can be increased for heavier compositions up to 10 −3 . The efficiency of transformation of the kinetic energy of the outflow into high energy (≥100 MeV) γ -rays through the production and decay of π 0 -mesons can be higher, up to 10 −2 of the accretion luminosity. We show that in the ADAF model up to 15% of the mass of accretion matter can “evaporate” in the form of neutrons.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2019

Harvesting from Ambient Energy: Designing Enabling Technologies for Sustainable Buildings

Electricity consumption in the commercial sector is forecasted to increase by 0.5% on an annual bases between 2017 to 2050. This is despite best design practices and adoption of more energy efficient resources for buildings. This increase is prevalent in miscellaneous electrical loads that studies have shown if their usage is tracked and conveyed to the occupant will result in up 34% consumption reduction. Diverse tools and research methodologies are being developed to track their location. This paper addresses one such method to identify the location of energy at the point of use using energy harvesting. The paper proposes a design process for magnetic flux harvesting around current carrying conductors of the electrical system in buildings for the purpose of powering sensors and/or for use as a triggering signal for energy consumption location in the built environment. Building on the electromagnetic induction theory, a relationship is developed between the size of the harvesting device and the total energy output. A prototype energy harvesting device based on the proposed data is built and tested through laboratory experiments.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2015

Study of the performance of the Micromegas chambers for the ATLAS Muon Spectrometer Upgrade

The ATLAS collaboration at LHC has chosen the Micromegas (Micro Mesh Gaseous Structure) technology along with the small-strip Thin Gap Chambers (sTGC) for the high luminosity upgrade of the inner muon station in the high-rapidity region, the so called New Small Wheel (NSW). It employs eight layers of Micromegas detectors and eight layers of sTGC. The NSW project requires fully efficient Micromegas chambers with spatial resolution down to 100 μm in the precision coordinate for momentum reconstruction, and at mm level in the azimuthal (second) coordinate, over a total active area of 1200 m{sup 2}, with a rate capability up to about 15 kHz/cm{sup 2} and operation in a moderate magnetic field up to B = 0.4 T. The required tracking capability is provided by the intrinsic space resolution combined with a mechanical precision at the level of 30 μm along the precision coordinate. Together with the precise tracking capability the Micromegas chambers should provide a trigger signal. Several tests have been performed on small (10x10 cm{sup 2}) and large (1 x 1 m{sup 2}) size single gap chambers prototypes using high energy hadron beams at CERN, low and intermediate energy (0.5-5 GeV) electron beams at Frascati and DESY, neutron beams at Demokritos (Athens) and Garching (Munich) and cosmic rays. More recently two quadruplets with dimensions 1.2 x 0.5 m{sup 2} and the same configuration and structure foreseen for the NSW upgrade have been built at CERN and tested with high energy pions/muons beam. Results obtained in the most recent tests, in different configurations and operating conditions, in dependence with the magnetic field, will be presented, along with a comparison between different read-out electronics, either based on the APV25 chips, or based on a new digital front-end ASIC developed in its second version (VMM2) as a new prototype of the final chip that will be employed in the NSW upgrade. (authors)

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

Depolymerization as a Design Strategy: Depolymerization Etching of Polymerization-Induced Microphase Separations

Thermally triggered depolymerization has traditionally been viewed through the lens of sustainability and recycling, not as a constructive tool for materials design. Herein, we show that selective, thermally triggered depolymerization to gaseous monomer serves as a solvent-free strategy for generating porosity in nanostructured polymer materials, offering a means to bypass the mass transport limitations inherent in conventional solution-based etching. As a demonstration platform, we employed polymerization-induced microphase separation (PIMS) to generate disordered bicontinuous block copolymer structures with embedded depolymerizable domains. By incorporating a methacrylate block susceptible to thermal depolymerization within a cross-linked, depolymerization-resistant styrenic matrix, we developed a process we term depolymerization etching of polymerization-induced microphase separations (DEPIMS). This approach enables highly selective and efficient domain removal via reversion to monomer to produce mesoporous materials with high surface areas (>200 m 2 /g). Subsequent surface functionalization yielded mesoporous adsorbents with tunable uptake kinetics and among the highest dye adsorption capacities reported for PIMS-derived materials, demonstrating the adaptability of the DEPIMS platform for chemical separations. DEPIMS can also be extended to a gram-scale, one-pot approach to yield mesoporous materials with recoverable monomer in under 12 h. These findings reposition thermal depolymerization from a sustainability tool to a broadly enabling strategy for scalable, on-demand fabrication of functional nanostructured materials.

Depolymerization↗

DOE OSTI2017

GMC Collisions as Triggers of Star Formation. IV. The Role of Ambipolar Diffusion

We investigate the role of ambipolar diffusion (AD) in collisions between magnetized giant molecular clouds (GMCs), which may be an important mechanism for triggering star cluster formation. Three-dimensional simulations of GMC collisions are performed using a version of the Enzo magnetohydrodynamics code that has been extended to include AD. The resistivities are calculated using the 31-species chemical model of Wu et al. (2015). We find that in the weak-field, 10 μG case, AD has only a modest effect on the dynamical evolution during the collision. However, for the stronger-field, 30 μG case involving near-critical clouds, AD results in the formation of dense cores in regions where collapse is otherwise inhibited. The overall efficiency of formation of cores with n{sub H}⩾10{sup 6} cm{sup −3} in these simulations is increases from about 0.2% to 2% once AD is included, comparable to observed values in star-forming GMCs. The gas around these cores typically has relatively slow infall at speeds that are a modest fraction of the free-fall speed.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2018

Deep mutational analysis reveals functional trade-offs in the sequences of EGFR autophosphorylation sites

Upon activation, the epidermal growth factor receptor (EGFR) phosphorylates tyrosine residues in its cytoplasmic tail, which triggers the binding of Src homology 2 (SH2) and phosphotyrosine-binding (PTB) domains and initiates downstream signaling. The sequences flanking the tyrosine residues (referred to as “phosphosites”) must be compatible with phosphorylation by the EGFR kinase domain and the recruitment of adapter proteins, while minimizing phosphorylation that would reduce the fidelity of signal transmission. To understand how phosphosite sequences encode these functions within a small set of residues, we carried out high-throughput mutational analysis of three phosphosite sequences in the EGFR tail. We used bacterial surface display of peptides coupled with deep sequencing to monitor phosphorylation efficiency and the binding of the SH2 and PTB domains of the adapter proteins Grb2 and Shc1, respectively. We found that the sequences of phosphosites in the EGFR tail are restricted to a subset of the range of sequences that can be phosphorylated efficiently by EGFR. Although efficient phosphorylation by EGFR can occur with either acidic or large hydrophobic residues at the -1 position with respect to the tyrosine, hydrophobic residues are generally excluded from this position in tail sequences. The mutational data suggest that this restriction results in weaker binding to adapter proteins but also disfavors phosphorylation by the cytoplasmic tyrosine kinases c-Src and c-Abl. Our results show how EGFR-family phosphosites achieve a trade-off between minimizing off-pathway phosphorylation and maintaining the ability to recruit the diverse complement of effectors required for downstream pathway activation.

Science & Technology - Other Topics↗

DOE OSTI2015

ARE PROTOPLANETARY DISKS BORN WITH VORTICES? ROSSBY WAVE INSTABILITY DRIVEN BY PROTOSTELLAR INFALL

We carry out two-fluid, two-dimensional global hydrodynamic simulations to test whether protostellar infall can trigger the Rossby wave instability (RWI) in protoplanetry disks. Our results show that infall can trigger the RWI and generate vortices near the outer edge of the mass landing on the disk (i.e., centrifugal radius). We find that the RWI is triggered under a variety of conditions, although the details depend on the disk parameters and the infall pattern. The common key feature of triggering the RWI is the steep radial gradient of the azimuthal velocity induced by the local increase in density at the outer edge of the infall region. Vortices form when the instability enters the nonlinear regime. In our standard model where self-gravity is neglected, vortices merge together to a single vortex within ∼20 local orbital times, and the merged vortex survives for the remaining duration of the calculation (>170 local orbital times). The vortex takes part in outward angular momentum transport, with a Reynolds stress of ≲10{sup −2}. Our two-fluid calculations show that vortices efficiently trap dust particles with stopping times of the order of the orbital time, locally enhancing the dust to gas ratio for particles of the appropriate size by a factor of ∼40 in our standard model. When self-gravity is considered, however, vortices tend to be impeded from merging and may eventually dissipate. We conclude it may well be that protoplanetary disks have favorable conditions for vortex formation during the protostellar infall phase, which might enhance early planetary core formation.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Bias-Variance Trade-Off in Physics-Informed Neural Networks with Randomized Smoothing for High-Dimensional PDEs

Physics-Informed Neural Networks (PINNs) have triggered a paradigm shift in scientific computing, leveraging mesh-free properties and robust approximation capabilities. While proving effective for low-dimensional partial differential equations (PDEs), the computational cost of PINNs remains a hurdle in high-dimensional scenarios. This is particularly pronounced when computing high-order and high-dimensional derivatives in the physics-informed loss. Randomized Smoothing PINN (RS-PINN) introduces Gaussian noise for stochastic smoothing of the original neural net model, enabling the use of Monte Carlo methods for derivative approximation, which eliminates the need for costly automatic differentiation. Despite its computational efficiency, especially in the approximation of high-dimensional derivatives, RS-PINN introduces biases in both loss and gradients, negatively impacting convergence, especially when coupled with stochastic gradient descent (SGD) algorithms. We present a comprehensive analysis of biases in RS-PINN, attributing them to the nonlinearity of the Mean Squared Error (MSE) loss as well as the intrinsic nonlinearity of the PDE itself. We propose tailored bias correction techniques, delineating their application based on the order of PDE nonlinearity. The derivation of an unbiased RS-PINN allows for a detailed examination of its advantages and disadvantages compared to the biased version. Specifically, the biased version has a lower variance and runs faster than the unbiased version, but it is less accurate due to the bias. To optimize the bias-variance trade-off, we combine the two approaches in a hybrid method that balances the rapid convergence of the biased version with the high accuracy of the unbiased version. In addition to methodological contributions, we present an enhanced implementation of RS-PINN. Extensive experiments on diverse high-dimensional PDEs, including Fokker-Planck, Hamilton-Jacobi-Bellman (HJB), viscous Burgers’, Allen-Cahn, and Sine-Gordon equations, illustrate the bias-variance trade-off and highlight the effectiveness of the hybrid RS-PINN. Empirical guidelines are provided for selecting biased, unbiased, or hybrid versions, depending on the dimensionality and nonlinearity of the specific PDE problem.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Unraveling two distinct polymorph transition mechanisms in one n-type single crystal for dynamic electronics

Cooperativity is used by living systems to circumvent energetic and entropic barriers to yield highly efficient molecular processes. Cooperative structural transitions involve the concerted displacement of molecules in a crystalline material, as opposed to typical molecule-by-molecule nucleation and growth mechanisms which often break single crystallinity. Cooperative transitions have acquired much attention for low transition barriers, ultrafast kinetics, and structural reversibility. However, cooperative transitions are rare in molecular crystals and their origin is poorly understood. Crystals of 2-dimensional quinoidal terthiophene (2DQTT-o-B), a high-performance n-type organic semiconductor, demonstrate two distinct thermally activated phase transitions following these mechanisms. Here we show reorientation of the alkyl side chains triggers cooperative behavior, tilting the molecules like dominos. Whereas, nucleation and growth transition is coincident with increasing alkyl chain disorder and driven by forming a biradical state. We establish alkyl chain engineering as integral to rationally controlling these polymorphic behaviors for novel electronic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Low‐Energy Electron‐Induced Transformations in Organolead Halide Perovskite

Abstract Methylammonium lead iodide perovskite (MAPbI 3 ), a prototype material for potentially high‐efficient and low‐cost organic–inorganic hybrid perovskite solar cells, has been investigated intensively in recent years. A study of low‐energy electron‐induced transformations in MAPbI 3 is presented, performed by combining controlled electron‐impact irradiation with X‐ray photoelectron spectroscopy and scanning electron microscopy. Changes were observed in both the elemental composition and the morphology of irradiated MAPbI 3 thin films as a function of the electron fluence for incident energies from 4.5 to 60 eV. The results show that low‐energy electrons can affect structural and chemical properties of MAPbI 3 . It is proposed that the transformations are triggered by the interactions with the organic part of the material (methylammonium), resulting in the MAPbI 3 decomposition and aggregation of the hydrocarbon layer.

Milosavljević, Aleksandar R.↗

DOE OSTI2016

Low‐Energy Electron‐Induced Transformations in Organolead Halide Perovskite

Milosavljević, Aleksandar R.↗

DOE OSTI2015

Radio–X-ray synergy to discover and study jetted tidal disruption events

Observational consequences of tidal disruption of stars by supermassive black holes (SMBHs) can enable us to discover quiescent SMBHs, constrain their mass function, and study the formation and evolution of transient accretion disks and jet formation. A couple of jetted tidal disruption events (TDEs) have been recently claimed in hard X-rays, challenging jet models, which were previously applied to γ-ray bursts and active galactic nuclei. It is therefore of paramount importance to increase the current sample. In this paper, we find that the best strategy is not to use upcoming X-ray instruments alone, which will yield between several (eRosita) and a couple of hundred (Einstein Probe) events per year below redshift one. We rather claim that a more efficient TDE hunter will be the Square Kilometer Array (SKA) operating in survey mode at 1.4 GHz. It may detect up to several hundred events per year below z ∼ 2.5 with a peak rate of a few tens per year at z ≈ 0.5. Therefore, even if the jet production efficiency is not 100% as assumed here, the predicted rates should be large enough to allow for statistical studies. The characteristic TDE decay of t{sup −5/3}, however, is not seen in radio, whose flux emission is quite featureless. Identification therefore requires localization and prompt repointing by higher energy instruments. If radio candidates would be repointed within a day by future X-ray observatories (e.g., Athena- and LOFT-like missions), it will be possible to detect up to ≈400 X-ray counterparts, almost up to redshift 2. The shortcoming is that only for redshift below ≈0.4 will the trigger times be less than 10 days from the explosion. In this regard the X-ray surveys are better suited to probe the beginning of the flare, and are therefore complementary to SKA.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

The CLAS12 forward electromagnetic calorimeter

The CLAS12 Forward Detector includes six independent lead-scintillator electromagnetic sampling calorimeters to provide the primary electron trigger and extend the CLAS12 detection capability to photons and neutrons. Each calorimeter package consists of two modules, the legacy Electromagnetic Calorimeter (EC) previously used in the CLAS detector, and a new pre-shower calorimeter (PCAL) located in front of the EC to extend the total detector radiation length, in order to fully absorb the electromagnetic showers induced by electrons with energies up to 12 GeV. Both calorimeters use a novel triangular hodoscope geometry with stereo readout. The PCAL uses an upgraded design to provide the high spatial resolution necessary for reconstructing π 0 and η decays, and neutrons with high efficiency. Here, this paper treats the design, construction, and calibration of the PCAL and the preliminary combined performance of both detectors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Ice-slurry production for solar-ice systems using supercooling with an in-stream crystallizer

Using ice slurry produced from supercooled water with an in-stream crystallizer opens a new path for solarice systems, increasing efficiency and reducing investment cost compared to ice-on-coil systems. Power needs are decoupled from the stored energy since the heat exchangers are not evenly distributed in the ice storage vessel but directly placed as the heat pump evaporator, which depends on the heat pump capacity and not on the ice storage volume. The novel ice storage design can serve as a heat source for a heat pump, where its evaporator is used to supercool water below 0 °C, or for refrigeration. The supercooled water at a temperature around −2 °C, maintained in a meta-stable liquid state, is triggered to nucleate in an in-stream crystallizer. The current design of the ice crystallizer allows for continuous operation of the system and scalability. Experimental results obtained with a gasketed plate heat exchanger used to supercool water and an in-stream crystallizer operated at a power of up to 6.5 kW are presented.

Thamm, Ann-Katrin↗

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 OSTI2019

Preliminary Energy Savings Analysis: 2018 IECC Residential Requirements

The most recent edition, the 2018 IECC, was published in August 2017, triggering the DOE review and determination process. In response, DOE and Pacific Northwest National Laboratory (PNNL) conducted a preliminary analysis to determine energy savings for the 2018 IECC residential provisions relative to the previous edition, the 2015 IECC. This report documents the methodology used to conduct the analysis and summarizes the results and findings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2015

Perovskite LaRhO{sub 3} as a p-type active layer in oxide photovoltaics

Perovskite-type transition-metal oxides have a wide variety of physical properties and triggered intensive research on functional devices in the form of heteroepitaxial junctions. However, there is a missing component that is a p-type conventional band semiconductor. LaRhO{sub 3} (LRO) is one of very few promising candidates having its bandgap between filled t{sub 2g} and empty e{sub g} of Rh in low-spin state, but there has been no report on the synthesis of large-size single crystals or thin films. Here, we report on the junction properties of single-crystalline thin films of LRO grown on (110) oriented Nb-doped SrTiO{sub 3} substrates. The external quantum efficiency of the photo-electron conversion exceeds 1% in the visible-light region due to the wide depletion layer and long diffusion length of minority carriers in LRO. Clear indication of p-type band semiconducting character in a perovskite oxide of LRO will pave a way to explore oxide electronics of perovskite heterostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Investigating the mechanism of chloroplast singlet oxygen signaling in the Arabidopsis thaliana accelerated cell death 2 mutant

As sessile organisms, plants have evolved complex signaling mechanisms to sense stress and acclimate. This includes the use of reactive oxygen species (ROS) generated during dysfunctional photosynthesis to initiate signaling. One such ROS, singlet oxygen ( 1 O 2 ), can trigger retrograde signaling, chloroplast degradation, and programmed cell death. However, the signaling mechanisms are largely unknown. Several proteins (e.g. PUB4, OXI1, EX1) are proposed to play signaling roles across three Arabidopsis thaliana mutants that conditionally accumulate chloroplast 1 O 2 (fluorescent in blue light (flu), chlorina 1 (ch1), and plastid ferrochelatase 2 (fc2)). We previously demonstrated that these mutants reveal at least two chloroplast 1 O 2 signaling pathways (represented by flu and fc2/ch1). Here, we test if the 1 O 2 -accumulating lesion mimic mutant, accelerated cell death 2 (acd2), also utilizes these pathways. The pub4–6 allele delayed lesion formation in acd2 and restored photosynthetic efficiency and biomass. Conversely, an oxi1 mutation had no measurable effect on these phenotypes. acd2 mutants were not sensitive to excess light (EL) stress, yet pub4–6 and oxi1 both conferred EL tolerance within the acd2 background, suggesting that EL-induced 1 O 2 signaling pathways are independent from spontaneous lesion formation. Thus, 1 O 2 signaling in acd2 may represent a third (partially overlapping) pathway to control cellular degradation.

59 BASIC BIOLOGICAL SCIENCES↗