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DOE OSTI2025

Dissipation in open holography

We exploit the holographic realization of a conformal theory coupled to an external bath realized via a double trace deformation and its gravity dual in terms of transparent boundary conditions in order to map out some basic dissipative properties of this simple open holographic system. In particular, we determine the energy transmission coefficient across the boundary, discover a novel duality relating weak and strong coupling to the external bath, and quantify the dissipation in the system by working out the quasi normal modes.

AdS-CFT correspondence↗

DOE OSTI2019

Synthesis of novel benzimidazole–oxadiazole derivatives as potent anticancer activity

DNA topoisomerase I regulates DNA topological structure in many cellular metabolic processes and is a validated target for the development of antitumor agents. In this work, a series of novel 2-[(5-(4-(5(6)-substituted-1H-benzimidazol-2-yl)phenyl)-1,3,4-oxadiazol-2-yl)thio]-1-(4-substitutedphenyl)ethan-1-ones (4a–4s) derivatives have been synthesized and evaluated for DNA Topo I inhibition and cytotoxicity. The structures of the compounds (4a–4s) were confirmed by IR, {sup 1}H-NMR, {sup 13}C-NMR, 2D NMR, and mass spectroscopy. Anticancer activity of these compounds was assessed against two different human cancer cell lines A549 (human lung adenocarcinoma) and HepG2 (human liver cancer cell line), as well as normal mouse embryonic fibroblast cells (NIH3T3). IC{sub 50} values of compounds 4a, 4c, and 4f were highest than those exhibited for the reference drug cisplatin. Then, the inhibitory effect of 4a, 4c, and 4f compounds on topoisomerase I enzyme with the relaxation assay was investigated on supercoiled DNA using agarose gel electrophoresis. The Annexin V-FITC assay demonstrated that these compounds induce cell death by apoptosis.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2020

Temporal covariance structure of multi-spectral phenotypes and their predictive ability for end-of-season traits in maize

Vegetation indices (VIs) derived from multi-spectral imaging (MSI) platforms can be used to study properties of crop canopy, providing non-destructive phenotypes that could be used to better understand growth curves throughout the growing season. To investigate the amount of variation present in several VIs and their relationship with important end-of-season traits, genetic and residual (co)variances for VIs, grain yield and moisture were estimated using data collected from maize hybrid trials. The VIs considered were Normalized Difference Vegetation Index (NDVI), Green NDVI, Red Edge NDVI, Soil-Adjusted Vegetation Index, Enhanced Vegetation Index and simple Ratio of Near Infrared to Red (Red) reflectance. Genetic correlations of VIs with grain yield and moisture were used to fit multi-trait models for prediction of end-of-season traits and evaluated using within site/year cross-validation. To explore alternatives to fitting multiple phenotypes from MSI, random regression models with linear splines were fit using data collected in 2016 and 2017. Heritability estimates ranging from (0.10 to 0.82) were observed, indicating that there exists considerable amount of genetic variation in these VIs. Furthermore, strong genetic and residual correlations of the VIs, NDVI and NDRE, with grain yield and moisture were found. Considerable increases in prediction accuracy were observed from the multi-trait model when using NDVI and NDRE as a secondary trait. Finally, random regression with a linear spline function shows potential to be used as an alternative to mixed models to fit VIs from multiple time points.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Joining of Thermoset Carbon Fiber Reinforced Polymer and AZ31 Magnesium Alloy Sheet Via Friction Stir Interlocking

A new technique called friction stir interlocking (FSI) was applied for lap-joining of AZ31 magnesium sheet and thermoset carbon fiber reinforced polymer (TS-CFRP) sheet. Instead of directly joining AZ31 and TS-CFRP, a series of magnesium interlocks were used to friction stir weld with AZ31 sheet to enable joining with TS-CFRP. Microstructural characterization of joint cross sections showed that a tool rotation rate of 800 rpm produced incomplete mixing of magnesium interlocks and the top AZ31 sheet, while 1200 rpm achieved sufficient material mixing to avoid unwelded regions. Mechanical property characterization showed that AZ31/TS-CFRP dissimilar joints failed through the magnesium interlock shanks during lap shear tensile testing, with a maximum normalized joint strength reaching ~100 MPa.

Wang, Tianhao↗

DOE OSTI2020

Additively manufactured heat exchangers: a review on opportunities and challenges

Heat Exchangers (HXs) are crucial engineering components for thermal management. The broad range of applications and the current limits of traditional manufacturing techniques has directed designers and researchers to utilize additive manufacturing (AM) technologies to open a new chapter in HXs design and development. AM has created a world of opportunity to redesign HXs in pioneering forms, shapes, and sizes. In other words, AM technologies provides significant opportunities to increase surface area to volume ratio in heat transfer devices. On the other hand, there are certain challenges to overcome in order to fully grasp the benefits of AM technologies. This thorough review study is different from other published review as it intends to highlight the challenges and opportunities in design and manufacturing of HXs. In addition, part of this study is dedicated to investigate the experimental characterization of additively manufactured HXs. Furthermore, the significant details associated with experimental characterization are normally overlooked in review studies.

42 ENGINEERING↗

DOE OSTI2023

Carbon nanospikes have improved sensitivity and antifouling properties for adenosine, hydrogen peroxide, and histamine

Carbon nanospikes (CNSs) are a new nanomaterial that has enhanced surface roughness and surface oxide concentration, increasing the sensitivity for dopamine detection. However, CNS-modified electrodes (CNSMEs) have not been characterized for other neurochemicals, particularly those with higher oxidation potentials. The purpose of this study was to evaluate CNSMEs for the detection of adenosine, hydrogen peroxide (H 2 O 2 ), and histamine. The sensitivity increased with CNSs, and signals at CNSMEs were about 3.3 times higher than CFMEs. Normalizing for surface area differences using background currents, CNSMEs show an increased signal of 4.8 times for adenosine, 1.5 times for H 2 O 2 , and 2 times for histamine. CNSMEs promoted the formation of secondary products for adenosine and histamine, which enables differentiation from other analytes with similar oxidation potentials. Furthermore, CNSs also selectively enhance the sensitivity for adenosine and histamine compared to H 2 O 2 . A scan rate test reveals that adenosine is more adsorption-controlled at CNS electrodes than CFMEs. CNSMEs are antifouling for histamine, with less fouling because the polymers formed after histamine electrooxidation do not adsorb due to an elevated number of edge planes. CNSMEs were useful for detecting each analyte applied in brain slices. Because of the hydrophilic surface compared to CFMEs, CNSMEs also have reduced biofouling when used in tissue. Therefore, CNSMEs are useful for tissue measurements of adenosine, hydrogen peroxide, and histamine with high selectivity and low fouling.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Improved high-throughput screening technique to rapidly isolate Chlamydomonas transformants expressing recombinant proteins

Abstract The single-celled eukaryotic green alga Chlamydomonas reinhardtii has long been a model system for developing genetic tools for algae, and is also considered a potential platform for the production of high-value recombinant proteins. Identifying transformants with high levels of recombinant protein expression has been a challenge in this organism, as random integration of transgenes into the nuclear genome leads to low frequency of cell lines with high gene expression. Here, we describe the design of an optimized vector for the expression of recombinant proteins in Chlamydomonas , that when transformed and screened using a dual antibiotic selection, followed by screening using fluorescence activated cell sorting (FACS), permits rapid identification and isolation of microalgal transformants with high expression of a recombinant protein. This process greatly reduces the time required for the screening process, and can produce large populations of recombinant algae transformants with between 60 and 100% of cells producing the recombinant protein of interest, in as little as 3 weeks, that can then be used for whole population sequencing or individual clone analysis. Utilizing this new vector and high-throughput screening (HTS) process resulted in an order of magnitude improvement over existing methods, which normally produced under 1% of algae transformants expressing the protein of interest. This process can be applied to other algal strains and recombinant proteins to enhance screening efficiency, thereby speeding up the discovery and development of algal-derived recombinant protein products. Key points • A protein expression vector using double-antibiotic resistance genes was designed • Double antibiotic selection causes fewer colonies with more positive for phenotype • Coupling the new vector with FACS improves microalgal screening efficiency > 60%

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Spatially Quasi-Periodic Water Waves of Infinite Depth

Abstract We formulate the two-dimensional gravity-capillary water wave equations in a spatially quasi-periodic setting and present a numerical study of solutions of the initial value problem. We propose a Fourier pseudo-spectral discretization of the equations of motion in which one-dimensional quasi-periodic functions are represented by two-dimensional periodic functions on a torus. We adopt a conformal mapping formulation and employ a quasi-periodic version of the Hilbert transform to determine the normal velocity of the free surface. Two methods of time-stepping the initial value problem are proposed, an explicit Runge–Kutta (ERK) method and an exponential time-differencing (ETD) scheme. The ETD approach makes use of the small-scale decomposition to eliminate stiffness due to surface tension. We perform a convergence study to compare the accuracy and efficiency of the methods on a traveling wave test problem. We also present an example of a periodic wave profile containing vertical tangent lines that is set in motion with a quasi-periodic velocity potential. As time evolves, each wave peak evolves differently, and only some of them overturn. Beyond water waves, we argue that spatial quasi-periodicity is a natural setting to study the dynamics of linear and nonlinear waves, offering a third option to the usual modeling assumption that solutions either evolve on a periodic domain or decay at infinity.

Wilkening, Jon (ORCID:0000000327827596)↗

DOE OSTI2022

Stem respiration and growth in a central Amazon rainforest

Tropical forests cycle a large amount of CO 2 between the land and atmosphere, with a substantial portion of the return flux due tree respiratory processes. However, in situ estimates of woody tissue respiratory fluxes and carbon use efficiencies (CUEW) and their dependencies on physiological processes including stem wood production (Pw) and transpiration in tropical forests remain scarce. In this work, we synthesize monthly Pw and daytime stem CO 2 efflux (ES) measurements over one year from 80 trees with variable biomass accumulation rates in the central Amazon. On average, carbon flux to woody tissues, expressed in the same stem area normalized units as ES, averaged 0.90 ± 1.2 µmol m -2 s -1 for Pw, and 0.55 ± 0.33 µmol m -2 s -1 for daytime ES. A positive linear correlation was found between stem growth rates and stem CO 2 efflux, with respiratory carbon loss equivalent to 15 ± 3% of stem carbon accrual. CUEW of stems was non-linearly correlated with growth and was as high as 77-87% for a fast-growing tree. Diurnal measurements of stem CO 2 efflux for three individuals showed a daytime reduction of ES by 15-50% during periods of high sap flow and transpiration. The results demonstrate that high daytime ES fluxes are associated with high CUE W during fast tree growth, reaching higher values than previously observed in the Amazon Basin (e.g. maximum CUEW up to 77-87%, versus 30-56%). The observations are consistent with the emerging view that diurnal dynamics of stem water status influences growth processes and associated respiratory metabolism.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Coupled Thermo-Hydrological-Mechanical-Chemical Behavior of Anisotropic Granite for Geologic Disposal of High-Level Radioactive Waste: A Core-Scale Laboratory Investigation

The coupled thermo-hydrological-mechanical-chemical (THMC) behavior of rock within an Excavation Damaged Zone (EDZ) is critical for the safety and long-term performance of a geological repository for high-level radioactive wastes. While many laboratory experiments have been conducted to investigate EDZ rocks, the flow and deformation characteristics resulting from anisotropic rock textures and microcrack distribution under triaxial loading and elevated temperatures remain poorly understood. Particularly, cracks at various scales serve as fast paths for fluid flow and solute transport and present as focal points of mechanical weakness, which complicate the coupled THMC processes in anisotropic EDZ rocks and challenge modeling predictions. Here, in this study, a series of core-scale experiments was conducted on three granite samples under repository-relevant conditions. These rock samples were obtained from the Grimsel Underground Research Laboratory (URL), featured by anisotropic minerals (represented by bedding layers) and microcrack distributions and coarse cm-scale grain sizes. During the experiments, samples were subjected to an elevated temperature at 90 °C and different triaxial loading conditions either by radial (normal to bedding layers) or axial (parallel to bedding layers) compaction. Water was injected into the samples, and the rock permeability evolutions and effluent water chemistry were monitored closely. For intact samples, thermal expansion of minerals at 90 °C resulted in a large, 75% irreversible permeability reduction and rock strengthening under radial compaction, while thermal impact was limited to a 15% permeability reduction under axial compaction. In contrast, for a sample containing open cracks, the growth of fractures during the experiment resulted in an abrupt permeability increase and fast failure at 90 °C. The effluent water chemistry indicates much more considerable mineral dissolution from large shear sliding than that in rocks dominated by mechanical compaction. These results helped better understand the coupled THMC processes in anisotropic rocks containing cracks, evaluate the behaviors of EDZ rocks, and predict the long-term evolution of EDZ for the performance of the repositories.

Coupled THMC processes↗

DOE OSTI2025

Field validation of dynamic mechanical torque measurements using fiber-optic strain sensors for geared wind turbines

Abstract Accurate knowledge of the mechanical loads of wind turbine gearboxes has become essential in modern, highly loaded gearbox designs, as maintaining or even improving gearbox reliability with increasing torque density demands is proving to be challenging. Unfortunately, the traditional method of measuring dynamic mechanical torque using strain gauges placed on the outer surface of a rotating shaft and transmitting the resulting signal is unsuitable for serial deployment due to technical and economic constraints. An alternative method based on fiber-optic strain sensors placed on the stationary outer surface of the gearbox ring gear has been proposed. Like shaft torsion, the radial deformation of the ring gear is proportionate to the rotor torque. Placing the sensors on a stationary component is a cost-effective alternative for serial implementation because the need for complex and expensive data transfer via wireless transmission or a slip ring is eliminated. In this paper, we present the results of an extensive field experiment conducted to evaluate the torque measurement accuracy of this novel sensing solution installed on the gearbox of a Gamesa G97 2-MW wind turbine at the National Renewable Energy Laboratory’s Flatirons Campus. Torque measurements derived from fiber-optic strain sensors placed on the ring gear of the planetary stage are compared to conventional torque measurements from strain gauges placed on the main shaft. Two different torque estimation data processing methods were evaluated, with the method based on operational deflection shapes providing the most accurate results with an average normalized root mean square error below 0.7% for a load revolution distribution analysis. The effect of operating conditions on the torque estimate was also investigated, and the third planet-passing operational deflection shape was found to be the least sensitive to nontorque load-related effects. The fiber-optic strain sensors’ successful operation during the complete test campaign has demonstrated a robust and accurate solution for fleet-wide enhanced gearbox remaining useful life estimation.

17 WIND ENERGY↗

DOE OSTI2022

ThunderSecure: deploying real-time intrusion detection for 100G research networks by leveraging stream-based features and one-class classification network

Nowadays, data generated by large-scale scientific experiments are on the scale of petabytes per month. These data are transferred through dedicated high-bandwidth networks (40/100G) across distributed sites for processing, storage, and analysis. Like general purpose networks, research networks experience intrusions. However, monitoring anomalies in such high-speed network traffics is challenging given current cyber-infrastructure. Moreover, traditional network intrusion detection systems (NIDS) are signature based. However, anomaly patterns are difficult to define and that rulesets are often not updated frequently enough to reflect the changes of attack behaviors. We present ThunderSecure, a high-throughput, unsupervised learning-based intrusions detection system for 100G research networks. ThunderSecure implements an efficient packet processing and detection pipeline using multi-cores and GPUs. It extracts statistical and temporal features from real-time network data streams and feeds them to a one-class anomaly detection network. A baseline of normal distribution will be created based on the training observation. Testing traffic deviated from the learned profile will be marked as anomalies. We trained ThunderSecure on hundreds of billions of science data packets mirrored from two 100G network connections at Fermi National Accelerator Laboratory. The detection performance was evaluated on traffic captured from the same research network days and weeks after the training with different types of attack flows injected. Results show that ThunderSecure can recognize science data traffic captured long after the training and made nearly certain detection on the segment of the streams where anomalous flows were injected.

100G research network↗

DOE OSTI2022

Numerical algorithms for water waves with background flow over obstacles and topography

Abstract We present two accurate and efficient algorithms for solving the incompressible, irrotational Euler equations with a free surface in two dimensions with background flow over a periodic, multiply connected fluid domain that includes stationary obstacles and variable bottom topography. One approach is formulated in terms of the surface velocity potential while the other evolves the vortex sheet strength. Both methods employ layer potentials in the form of periodized Cauchy integrals to compute the normal velocity of the free surface, are compatible with arbitrary parameterizations of the free surface and boundaries, and allow for circulation around each obstacle, which leads to multiple-valued velocity potentials but single-valued stream functions. We prove that the resulting second-kind Fredholm integral equations are invertible, possibly after a physically motivated finite-rank correction. In an angle-arclength setting, we show how to avoid curve reconstruction errors that are incompatible with spatial periodicity. We use the proposed methods to study gravity-capillary waves generated by flow around several elliptical obstacles above a flat or variable bottom boundary. In each case, the free surface eventually self-intersects in a splash singularity or collides with a boundary. We also show how to evaluate the velocity and pressure with spectral accuracy throughout the fluid, including near the free surface and solid boundaries. To assess the accuracy of the time evolution, we monitor energy conservation and the decay of Fourier modes and compare the numerical results of the two methods to each other. We implement several solvers for the discretized linear systems and compare their performance. The fastest approach employs a graphics processing unit (GPU) to construct the matrices and carry out iterations of the generalized minimal residual method (GMRES).

Ambrose, David M.↗

DOE OSTI2023

Accretion disks, quasars and cosmology: meandering towards understanding

Abstract As Setti and Woltjer noted back in 1973, one can use quasars to construct the Hubble diagram; however, the actual application of the idea was not that straightforward. It took years to implement the proposition successfully. Most ways to employ quasars for cosmology now require an advanced understanding of their structure, step by step. We briefly review this progress, with unavoidable personal biases, and concentrate on bright unobscured sources. We will mention the problem of the gas flow character close to the innermost stable circular orbit near the black hole, as discussed five decades ago. This problem later led to the development of the slim disk scenario and is recently revived in the context of Magnetically Arrested Disks (MAD) and Standard and Normal Evolution (SANE) models. We also discuss the hot or warm corona issue, which is still under debate and complicates the analysis of X-ray reflection. We present the scenario of the formation of the low ionization part of the Broad Line Region as a failed wind powered by radiation pressure acting on dust (Failed Radiatively Driven Dusty Outflow – FRADO). Next, we examine the cosmological constraints currently achievable with quasars, primarily concentrating on light echo methods (continuum time delays and spectral-line time delays to the continuum) that are (or should be) incorporating the progress mentioned above. Finally, we briefly discuss prospects in this lively subject area.

Astronomy & Astrophysics↗

DOE OSTI2021

Key predictors of soil organic matter vulnerability to mineralization differ with depth at a continental scale

Abstract Soil organic matter (SOM) is the largest terrestrial pool of organic carbon, and potential carbon-climate feedbacks involving SOM decomposition could exacerbate anthropogenic climate change. However, our understanding of the controls on SOM mineralization is still incomplete, and as such, our ability to predict carbon-climate feedbacks is limited. To improve our understanding of controls on SOM decomposition, A and upper B horizon soil samples from 26 National Ecological Observatory Network (NEON) sites spanning the conterminous U.S. were incubated for 52 weeks under conditions representing site-specific mean summer temperature and sample-specific field capacity (−33 kPa) water potential. Cumulative carbon dioxide respired was periodically measured and normalized by soil organic C content to calculate cumulative specific respiration (CSR), a metric of SOM vulnerability to mineralization. The Boruta algorithm, a feature selection algorithm, was used to select important predictors of CSR from 159 variables. A diverse suite of predictors was selected (12 for A horizons, 7 for B horizons) with predictors falling into three categories corresponding to SOM chemistry, reactive Fe and Al phases, and site moisture availability. The relationship between SOM chemistry predictors and CSR was complex, while sites that had greater concentrations of reactive Fe and Al phases or were wetter had lower CSR. Only three predictors were selected for both horizon types, suggesting dominant controls on SOM decomposition differ by horizon. Our findings contribute to the emerging consensus that a broad array of controls regulates SOM decomposition at large scales and highlight the need to consider changing controls with depth.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Revisiting a Drag Partition Model For Canopy-Like Roughness Elements

Turbulent flows over a large surface area (S) covered by n obstacles experience an overall drag due to the presence of the ground and the protruding obstacles into the flow. The drag partition between the roughness obstacles and the ground is analyzed using an analytical model proposed by Raupach (Boundary-Layer Meteorol 60:375-395, 1992) and is hereafter referred to as R92. The R92 is based on the premise that the wake behind an isolated roughness element can be described by a shelter area A and a shelter volume V. The individual sizes of A and V without any interference from other obstacles can be determined from scaling analysis for the spread of wakes. To upscale from an individual roughness element to n/S elements where wakes may interact, R92 adopted a background stress re-normalizing instead of reducing A or V with each element addition. This work demonstrates that R92’s approach results in a linear background stress reduction in A and V only when the ratio of n/S is small, due to a low probability of wake interactions. This probabilistic nature suggests that up-scaling from individual to multiple roughness elements can be re-formulated using stochastic averaging methods proposed here. The two approaches are shown to recover R92 under plausible conditions. An alternative scaling for the shelter volume is also proposed here using thermodynamic arguments of work and dissipation though the final outcome remains similar to R92. Comparisons between R92 and available data spanning more than two decades after R92 on blocks and vegetation-like roughness elements confirm the practical utility of R92. The agreement between R92 and this updated databases of experiments and simulations confirm the potential use of R92 in large-scale models provided that the relevant parameters accommodate certain features of the roughness element type (cube versus vegetation-like) and, to a lesser extent, their configuration throughout S. Last, a comparison between R92 and models based on first-order closure principles with constant mixing length suggests that R92 can outperform such models when evaluated across a wide range of roughness densities.

canopy turbulence↗

DOE OSTI2020

Potential impacts of climate change on wind and solar electricity generation in Texas

Wind and solar energy sources are climate and weather dependent, therefore susceptible to a changing climate. in this paper, we quantify the impacts of climate change on wind and solar electricity generation under high concentrations of greenhouse gases in Texas. We employ mid-twenty-first century climate projections and a high-resolution numerical weather prediction model to generate weather variables in the future and produce wind and solar generation time series. We find that mid-twenty-first century projections based on five global climate models agree on the multiyear average increases across Texas in direct normal irradiance, global horizontal irradiance, surface air temperature, and 100-m wind speed of up to 5%, 4%, 10%, and 1%, respectively. These changes lead to multiyear average relative changes across Texas of -0.6 to + 2.5% and of + 1.3 to + 3.5% in solar and wind capacity factors, respectively, with significant regional, seasonal, and diurnal differences. Areas with low solar resource show an increase in solar capacity factors but reductions in wind capacity factors. Areas with high solar resource show reductions in solar capacity factors. The spatial and temporal differences in our results highlight the importance of using high-resolution data sets to study the potential impacts of climate change on wind and solar power.

14 SOLAR ENERGY↗

DOE OSTI2022

Using advanced data structures to enable responsive security monitoring

Write-optimized data structures (WODS), offer the potential to keep up with cyberstream event rates and give sub-second query response for key items like IP addresses. These data structures organize logs as the events are observed. To work in a real-world environment and not fill up the disk, WODS must efficiently expire older events. As the basis for our research into organizing security monitoring data, we implemented a tool, called Diventi, to index IP addresses in connection logs using RocksDB (a write-optimized LSM tree). In this work, we extended Diventi to automatically expire data as part of the data structures’ normal operations. We guarantee that Diventi always tracks the N most recent events and tracks no more than N + k events for a parameter k < N, while ensuring the index is opportunistically pruned. To test Diventi at scale in a controlled environment, we used anonymized traces of IP communications collected at SuperComputing 2019. We synthetically extended the 2.4 billion connection events to 100 billion events. We tested Diventi vs. Elasticsearch, a common log indexing tool. In our test environment, Elasticsearch saw an ingestion rate of at best 37,000 events/s while Diventi sustained ingestion rates greater than 171,000 events/s. Our query response times were as much as 100 times faster, typically answering queries in under 80 ms. Furthermore, we saw no noticeable degradation in Diventi from expiration. We have deployed Diventi for many months where it has performed well and supported new security analysis capabilities.

97 MATHEMATICS AND COMPUTING↗