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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Extending particle tracking capability with Delaunay triangulation

Here, particle tracking, the analysis of individual moving elements in time series of microscopic images, enables burgeoning new applications, but there is need to better resolve conformation and dynamics. Here we describe the advantages of Delaunay triangulation to extend the capabilities of particle tracking in three areas: (1) discriminating irregularly shaped objects, which allows one to track items other than point features; (2) combining time and space to better connect missing frames in trajectories; and (3) identifying shape backbone. To demonstrate the method, specific examples are given, involving analyzing the time-dependent molecular conformations of actin filaments and λ-DNA. The main limitation of this method, shared by all other clustering techniques, is the difficulty to separate objects when they are very close. This can be mitigated by inspecting locally to remove edges that are longer than their neighbors and also edges that link two objects, using methods described here, so that the combination of Delaunay triangulation with edge removal can be robustly applied to processing large data sets. As common software packages, both commercial and open source, can construct Delaunay triangulation on command, the methods described in this paper are both computationally efficient and easy to implement.

36 MATERIALS SCIENCE↗
DOE OSTI2014

PR-PR: Cross-Platform Laboratory Automation System

To enable protocol standardization, sharing, and efficient implementation across laboratory automation platforms, we have further developed the PR-PR open-source high-level biology-friendly robot programming language as a cross-platform laboratory automation system. Beyond liquid-handling robotics, PR-PR now supports microfluidic and microscopy platforms, as well as protocol translation into human languages, such as English. While the same set of basic PR-PR commands and features are available for each supported platform, the underlying optimization and translation modules vary from platform to platform. Here, we describe these further developments to PR-PR, and demonstrate the experimental implementation and validation of PR-PR protocols for combinatorial modified Golden Gate DNA assembly across liquid-handling robotic, microfluidic, and manual platforms. To further test PR-PR cross-platform performance, we then implement and assess PR-PR protocols for Kunkel DNA mutagenesis and hierarchical Gibson DNA assembly for microfluidic and manual platforms.

Linshiz, G↗
DOE OSTI2014

Metabolomic data streaming for biology-dependent data acquisition

During the last 10 years, metabolomics has emerged as a powerful technology to interrogate cellular biochemistry at the global level. Although much of the success has been driven by advances in mass spectrometry, developments in bioinformatic resources for data processing have been equally important. Additionally, the widely used metabolomic software XCMS, in particular, has undergone substantial improvements since its first introduction in 2005 (ref. 1). In addition to improved algorithms for peak picking, retention time alignment and data visualization, XCMS has transitioned from a command-line interface requiring expertise with the R programming language, to a web-based platform with a graphical user interface2. This web-based platform, which we call XCMS Online, enables thousands of users to upload their metabolomic data and perform cloud-based processing.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Emergence of high piezoelectricity from competing local polar order-disorder in relaxor ferroelectrics

Relaxor ferroelectrics are known for outstanding piezoelectric properties, finding a broad range of applications in advanced electromechanical devices. Decoding the origins of the enhanced properties, however, have long been complicated by the heterogeneous local structures. Here, we employ the advanced big-box refinement method by fitting neutron-, X-ray-based total scattering, and X-ray absorption spectrum simultaneously, to extract local atomic polar displacements and construct 3D polar configurations in the classical relaxor ferroelectric Pb(Mg 1/3 Nb 2/3 )O 3 –PbTiO 3 . Our results demonstrate that prevailing order-disorder character accompanied by the continuous rotation of local polar displacements commands the composition-driven global structure evolution. The omnidirectional local polar disordering appears as an indication of macroscopic relaxor characteristics. Combined with phase-field simulations, it demonstrates that the competing local polar order-disorder between different states with balanced local polar length and direction randomness leads to a flattening free-energy profile over a wide polar length, thus giving rise to high piezoelectricity. Our work clarifies that the critical structural feature required for high piezoelectricity is the competition states of local polar rather than relaxor.

42 ENGINEERING↗
DOE OSTI2021

Polar state reversal in active fluids

Spontaneous emergence of correlated states such as flocks and vortices is a prime example of collective dynamics and self-organization observed in active matter. In geometrically confined systems, the formation of globally correlated polar states proceeds through the emergence of a macroscopic steadily rotating vortex, which spontaneously selects a clockwise or counterclockwise global chiral state. In this work, we reveal that a global vortex formed by colloidal rollers exhibits polar state reversal and that a subsequent formation of the collective states upon re-energizing the system is not random. We combine experiments and simulations to elucidate how a combination of hydrodynamic and electrostatic interactions leads to hidden asymmetries in the local particle positional order, reflecting the chiral state of the system. These asymmetries can be exploited to systematically command subsequent polar states of active liquids through temporal control of the activity.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Search for Majorana neutrinos exploiting millikelvin cryogenics with CUORE

The possibility that neutrinos may be their own antiparticles, unique among the known fundamental particles, arises from the symmetric theory of fermions proposed by Ettore Majorana in 1937. Given the profound consequences of such Majorana neutrinos, among which is a potential explanation for the matter–antimatter asymmetry of the universe via leptogenesis, the Majorana nature of neutrinos commands intense experimental scrutiny globally; one of the primary experimental probes is neutrinoless double beta (0νββ) decay. Here we show results from the search for 0νββ decay of 130 Te, using the latest advanced cryogenic calorimeters with the CUORE experiment3. CUORE, operating just 10 millikelvin above absolute zero, has pushed the state of the art on three frontiers: the sheer mass held at such ultralow temperatures, operational longevity, and the low levels of ionizing radiation emanating from the cryogenic infrastructure. We find no evidence for 0νββ decay and set a lower bound of the process half-life as 2.2 × 10 25 years at a 90 percent credibility interval. We discuss potential applications of the advances made with CUORE to other fields such as direct dark matter, neutrino and nuclear physics searches and large-scale quantum computing, which can benefit from sustained operation of large payloads in a low-radioactivity, ultralow-temperature cryogenic environment.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

A metabolic modeling platform for the computation of microbial ecosystems in time and space (COMETS)

Genome-scale stoichiometric modeling of metabolism has become a standard systems biology tool for modeling cellular physiology and growth. Extensions of this approach are emerging as a valuable avenue for predicting, understanding and designing microbial communities. Computation of microbial ecosystems in time and space (COMETS) extends dynamic flux balance analysis to generate simulations of multiple microbial species in molecularly complex and spatially structured environments. Here we describe how to best use and apply the most recent version of COMETS, which incorporates a more accurate biophysical model of microbial biomass expansion upon growth, evolutionary dynamics and extracellular enzyme activity modules. In addition to a command-line option, COMETS includes user-friendly Python and MATLAB interfaces compatible with the well-established COBRA models and methods, as well as comprehensive documentation and tutorials. Overall, this protocol provides a detailed guideline for installing, testing and applying COMETS to different scenarios, generating simulations that take from a few minutes to several days to run, with broad applicability to microbial communities across biomes and scales.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

High-throughput single-cell transcriptomics of bacteria using combinatorial barcoding

Microbial split-pool ligation transcriptomics (microSPLiT) is a high-throughput single-cell RNA sequencing method for bacteria. With four combinatorial barcoding rounds, microSPLiT can profile transcriptional states in hundreds of thousands of Gram-negative and Gram-positive bacteria in a single experiment without specialized equipment. As bacterial samples are fixed and permeabilized before barcoding, they can be collected and stored ahead of time. During the first barcoding round, the fixed and permeabilized bacteria are distributed into a 96-well plate, where their transcripts are reverse transcribed into cDNA and labeled with the first well-specific barcode inside the cells. The cells are mixed and redistributed two more times into new 96-well plates, where the second and third barcodes are appended to the cDNA via in-cell ligation reactions. Finally, the cells are mixed and divided into aliquot sub-libraries, which can be stored until future use or prepared for sequencing with the addition of a fourth barcode. It takes 4 days to generate sequencing-ready libraries, including 1 day for collection and overnight fixation of samples. Here, the standard plate setup enables single-cell transcriptional profiling of up to 1 million bacterial cells and up to 96 samples in a single barcoding experiment, with the possibility of expansion by adding barcoding rounds. The protocol requires experience in basic molecular biology techniques, handling of bacterial samples and preparation of DNA libraries for next-generation sequencing. It can be performed by experienced undergraduate or graduate students. Data analysis requires access to computing resources, familiarity with Unix command line and basic experience with Python or R.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

In-flight positional and energy use data set of a DJI Matrice 100 quadcopter for small package delivery

Abstract We autonomously directed a small quadcopter package delivery Uncrewed Aerial Vehicle (UAV) or “drone” to take off, fly a specified route, and land for a total of 209 flights while varying a set of operational parameters. The vehicle was equipped with onboard sensors, including GPS, IMU, voltage and current sensors, and an ultrasonic anemometer, to collect high-resolution data on the inertial states, wind speed, and power consumption. Operational parameters, such as commanded ground speed, payload, and cruise altitude, were varied for each flight. This large data set has a total flight time of 10 hours and 45 minutes and was collected from April to October of 2019 covering a total distance of approximately 65 kilometers. The data collected were validated by comparing flights with similar operational parameters. We believe these data will be of great interest to the research and industrial communities, who can use the data to improve UAV designs, safety, and energy efficiency, as well as advance the physical understanding of in-flight operations for package delivery drones.

42 ENGINEERING↗
DOE OSTI2019

Power of Ensemble Diversity and Randomization for Energy Aggregation

Abstract We study an ensemble of diverse (inhomogeneous) thermostatically controlled loads aggregated to provide the demand response (DR) services in a district-level energy system. Each load in the ensemble is assumed to be equipped with a random number generator switching heating/cooling on or off with a Poisson rate, r , when the load leaves the comfort zone. Ensemble diversity is modeled through inhomogeneity/disorder in the deterministic dynamics of loads. Approached from the standpoint of statistical physics, the ensemble represents a non-equilibrium system driven away from its natural steady state by the DR. The ability of the ensemble to recover by mixing faster to the steady state after its DR’s use is advantageous. The trade-off between the level of the aggregator’s control, commanding the devices to lower the rate r , and the phase-space-oscillatory deterministic dynamics is analyzed. Then, we study the effect of the load diversity, investigating four different disorder probability distributions (DPDs) ranging from the case of the Gaussian DPD to the case of the uniform with finite support DPD. We show that stronger regularity of the DPD results in faster mixing, which is similar to the Landau damping in plasma physics. Our theoretical analysis is supported by extensive numerical validation.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2026

An agentic artificially intelligent X-ray scientist

Executing experimental tasks in both normal research laboratories and large-scale scientific facilities often requires extensive human supervision and remains a key challenge on the path to fully autonomous, artificial intelligence (AI)-driven science. Here we demonstrate a large language model-driven agent that autonomously performs X-ray sample alignment on a synchrotron beamline by planning actions, executing instrumental commands, interpreting observations and iterating towards experimental goals. Based on existing large language models with structured tool-use via the model context protocol, our AI X-ray scientist was guided and tested using an in-house-built virtual experimental setup that mirrors a six-circle diffractometer at an operational synchrotron beamline. The agentic workflow developed in the virtual environment was directly deployed on a real beamline, where it correctly identified reference reflections and determined the orientation matrix, an essential first step in any type of single-crystal scattering experiment. Our AI X-ray scientist responded effectively to unexpected experimental conditions, demonstrating adaptive problem-solving and readiness for addressing practical experimental situations. Our study provides a step towards autonomous operation across diverse experimental environments at large-scale scattering facilities.

Chen, Zhantao (ORCID:0000000319543868)↗
DOE OSTI2020

Programmable chiral states in flocks of active magnetic rollers

Inspired by nature, active matter exemplified by self-organization of motile units into macroscopic structures holds great promise for advanced tunable materials capable of flocking, shape-shifting, and self-healing. Active particles driven by external fields have repeatedly demonstrated potential for complex self-organization and collective behavior, yet how to guide the direction of their collective motion largely remains unexplored. Here, we report a system of microscopic ferromagnetic rollers driven by an alternating magnetic field that demonstrates programmable control of the direction of a self-organized coherent vortical motion (i.e., chirality). Facilitated by a droplet confinement, the rollers get synchronized and display either right- or left-handed spontaneous vortical motion, such that their moving direction determines the vortex chirality. Here, we reveal that one can remotely command a flock of magnetic rollers to switch or maintain its chiral state by modulating a phase shift of the sinusoidal magnetic field powering the active rollers. Building on our findings, we realize a self-assembled remotely controlled micro-pump architecture capable of switching the fluid transport direction on demand. Our studies may stimulate new design strategies for directed transport and flocking robotics at the microscale based on active colloids.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Man‐in‐the‐middle attacks and defence in a power system cyber‐physical testbed

Abstract Man‐in‐The‐Middle (MiTM) attacks present numerous threats to a smart grid. In a MiTM attack, an intruder embeds itself within a conversation between two devices to either eavesdrop or impersonate one of the devices, making it appear to be a normal exchange of information. Thus, the intruder can perform false data injection (FDI) and false command injection (FCI) attacks that can compromise power system operations, such as state estimation, economic dispatch, and automatic generation control (AGC). Very few researchers have focused on MiTM methods that are difficult to detect within a smart grid. To address this, we are designing and implementing multi‐stage MiTM intrusions in an emulation‐based cyber‐physical power system testbed against a large‐scale synthetic grid model to demonstrate how such attacks can cause physical contingencies such as misguided operation and false measurements. MiTM intrusions create FCI, FDI, and replay attacks in this synthetic power grid. This work enables stakeholders to defend against these stealthy attacks, and we present detection mechanisms that are developed using multiple alerts from intrusion detection systems and network monitoring tools. Our contribution will enable other smart grid security researchers and industry to develop further detection mechanisms for inconspicuous MiTM attacks.

Wlazlo, Patrick↗
DOE OSTI2021

Design and evaluation of a cyber‐physical testbed for improving attack resilience of power systems

Abstract A power system is a complex cyber‐physical system whose security is critical to its function. A major challenge is to model, analyse and visualise the communication backbone of the power systems concerning cyber threats. To achieve this, the design and evaluation of a cyber‐physical power system (CPPS) testbed called Resilient Energy Systems Lab (RESLab) are presented to capture realistic cyber, physical, and protection system features. RESLab is architected to be a fundamental platform for studying and improving the resilience of complex CPPS to cyber threats. The cyber network is emulated using Common Open Research Emulator (CORE), which acts as a gateway for the physical and protection devices to communicate. The physical grid is simulated in the dynamic time frame using Power World Dynamic Studio (PWDS). The protection components are modelled with both PWDS and physical devices including the SEL Real‐Time Automation Controller (RTAC). Distributed Network Protocol 3 (DNP3) is used to monitor and control the grid. Then, the design is exemplified and the tools are validated. This work presents four case studies on cyberattack and defence using RESLab, where we demonstrate false data and command injection using Man‐in‐the‐Middle and Denial of Service attacks and validate them on a large‐scale synthetic electric grid.

Sahu, Abhijeet↗
DOE OSTI2019

Power system effects and mitigation recommendations for DER cyberattacks

Extensive deployment of interoperable distributed energy resources (DER) is increasing the power system cyber security attack surface. National and jurisdictional interconnection standards require DER to include a range of autonomous and commanded grid‐support functions, which can drastically influence power quality, voltage, and bulk system frequency. Here, the authors investigate the impact to the cyber‐physical power system in scenarios where communications and operations of DER are controlled by an adversary. The findings show that each grid‐support function exposes the power system to distinct types and magnitudes of risk. The physical impact from cyber actions was analysed in cases of DER providing distribution system voltage regulation and transmission system support. Finally, recommendations are presented for minimising the risk using engineered parameter limits and segmenting the control network to minimise common‐mode vulnerabilities.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2016

Planck intermediate results: XXXVII. Evidence of unbound gas from the kinetic Sunyaev-Zeldovich effect

By looking at the kinetic Sunyaev-Zeldovich effect (kSZ) in Planck nominal mission data, we present in this paper a significant detection of baryons participating in large-scale bulk flows around central galaxies (CGs) at redshift z ≈ 0.1. We estimate the pairwise momentum of the kSZ temperature fluctuations at the positions of the Central Galaxy Catalogue (CGC) samples extracted from Sloan Digital Sky Survey (SDSS-DR7) data. For the foreground-cleaned SEVEM, SMICA, NILC, and COMMANDER maps, we find 1.8–2.5σ detections of the kSZ signal, which are consistent with the kSZ evidence found in individualPlanck raw frequency maps, although lower than found in the WMAP-9yr W-band (3.3σ). We further reconstruct the peculiar velocity field from the CG density field, and compute for the first time the cross-correlation function between kSZ temperature fluctuations and estimates of CG radial peculiar velocities. This correlation function yields a 3.0–3.7σ detection of the peculiar motion of extended gas on Mpc scales in flows correlated up to distances of 80–100 h -1 Mpc. Both the pairwise momentum estimates and the kSZ temperature-velocity field correlation find evidence for kSZ signatures out to apertures of 8 arcmin and beyond, corresponding to a physical radius of >1 Mpc, more than twice the mean virial radius of halos. This is consistent with the predictions from hydrodynamical simulations that most of the baryons are outside the virialized halos. We fit a simple model, in which the temperature-velocity cross-correlation is proportional to the signal seen in a semi-analytic model built upon N-body simulations, and interpret the proportionality constant as an effective optical depth to Thomson scattering. Finally, we find τ T = (1.4 ± 0.5) × 10 -4 ; the simplest interpretation of this measurement is that much of the gas is in a diffuse phase, which contributes little signal to X-ray or thermal Sunyaev-Zeldovich observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

BEYONDPLANCK XIII. Intensity foreground sampling, degeneracies, and priors

We present the intensity foreground algorithms and model employed within the BEYONDPLANCK analysis framework. The BEYONDPLANCK analysis is aimed at integrating component separation and instrumental parameter sampling within a global framework, leading to complete end-to-end error propagation in the Planck Low Frequency Instrument (LFI) data analysis. Given the scope of the BEYONDPLANCK analysis, a limited set of data is included in the component separation process, leading to foreground parameter degeneracies. In order to properly constrain the Galactic foreground parameters, we improve upon the previous Commander component separation implementation by adding a suite of algorithmic techniques. These algorithms are designed to improve the stability and computational efficiency for weakly constrained posterior distributions. These are: (1) joint foreground spectral parameter and amplitude sampling, building on ideas from MIRAMARE; (2) component-based monopole determination; (3) joint spectral parameter and monopole sampling; and (4) application of informative spatial priors for component amplitude maps. We find that the only spectral parameter with a significant signal-to-noise ratio using the current BEYONDPLANCK data set is the peak frequency of the anomalous microwave emission component, for which we find $ν$ p = 25.3 ± 0.5 GHz; all others must be constrained through external priors. Future works will be aimed at integrating many more data sets into this analysis, both map and time-ordered based, thereby gradually eliminating the currently observed degeneracies in a controlled manner with respect to both instrumental systematic effects and astrophysical degeneracies. When this happens, the simple LFI-oriented data model employed in the current work will need to be generalized to account for both a richer astrophysical model and additional instrumental effects. This work will be organized within the Open Science-based COSMOGLOBE community effort.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

SpackDev: Multi-Package Development with Spack

High Energy Physics (HEP) software environments often involve ~ hundreds of external packages and libraries, and similar numbers of experiment-specific, science-critical packages—many under continuous development. Managing coherent releases of the external software stack is challenging enough, but managing the highly-collaborative—and distributed—development of a large body of code against such a stack adds even more complexity and room for error. Spack is a popular Python-based package management tool with a specific focus on the needs of High Performance Computing (HPC) systems and system administrators whose strength is orchestrating the discrete download, build, testing, and installation of pre-packaged or tagged third-party software against similarly stable dependencies. As such it is becoming increasingly popular within HEP as that community makes increasing use of HPC facilities, and as efforts to develop future HPC systems utilize Spack to provide scientific software on those platforms. SpackDev is a system to facilitate the simultaneous development of interconnected sets of packages. Intended to handle packages without restriction to one internal build system, SpackDev is integrated with Spack as a command extension in order to leverage features such as dependency calculations and build system configuration, and is generally applicable outside HEP. We describe SpackDev’s features and development over the last two years, initial experience using SpackDev in the context of the LArSoft liquid argon detector toolkit, and work remaining before it can be considered a fully-functional multi-package build system for HEP experiments utilizing Spack.

Green, Chris↗