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DOE OSTI2021

An extended polynomial chaos expansion for PDF characterization and variation with aleatory and epistemic uncertainties

This paper presents an extended polynomial chaos formalism for epistemic uncertainties and a new framework for evaluating sensitivities and variations of output probability density functions (PDF) to uncertainty in probabilistic models of input variables. An ”extended” polynomial chaos expansion (PCE) approach is developed that accounts for both aleatory and epistemic uncertainties, modeled as random variables, thus allowing a unified treatment of both types of uncertainty. We explore in particular epistemic uncertainty associated with the choice of prior probabilistic models for input parameters. A PCE-based Kernel Density (KDE) construction provides a composite map from the PCE coefficients and germ to the PDF of quantities of interest (QoI). Here, the sensitivities of these PDF with respect to the input parameters are then evaluated. Input parameters of the probabilistic models are considered. By sampling over the epistemic random variable, a family of PDFs is generated and the failure probability is itself estimated as a random variable with its own PCE. Integrating epistemic uncertainties within the PCE framework results in a computationally efficient paradigm for propagation and sensitivity evaluation. Two typical illustrative examples are used to demonstrate the proposed approach.

Aleatory uncertainty↗
DOE OSTI2014

Early-type galaxy archeology: Ages, abundance ratios, and effective temperatures from full-spectrum fitting

The stellar populations of galaxies hold vital clues to their formation histories. In this paper we present results based on modeling stacked spectra of early-type galaxies drawn from the Sloan Digital Sky Survey as a function of velocity dispersion, σ, from 90 km s{sup –1} to 300 km s{sup –1}. The spectra are of extremely high quality, with typical signal-to-noise ratio of 1000 Å{sup –1}, and a wavelength coverage of 4000 Å –8800 Å. Our population synthesis model includes variation in 16 elements from C to Ba, a two-component star formation history, the shift in effective temperature, Δ T {sub eff}, of the stars with respect to a solar metallicity isochrone, and the stellar initial mass function, among other parameters. In our approach we fit the full optical spectra rather than a select number of spectral indices and are able to, for the first time, measure the abundances of the elements V, Cr, Mn, Co, and Ni from the integrated light of distant galaxies. Our main results are as follows: (1) light-weighted stellar ages range from 6-12 Gyr from low to high σ; (2) [Fe/H] varies by less than 0.1 dex across the entire sample; (3) Mg closely tracks O, and both increase from ≈0.0 at low σ to ∼0.25 at high σ; Si and Ti show a shallower rise with σ, and Ca tracks Fe rather than O; (4) the iron peak elements V, Cr, Mn, and Ni track Fe, while Co tracks O, suggesting that Co forms primarily in massive stars; (5) C and N track O over the full sample and [C/Fe] and [N/Fe] exceed 0.2 at high σ; and (6) the variation in Δ T {sub eff} with total metallicity closely follows theoretical predictions based on stellar evolution theory. This last result is significant because it implies that we are robustly solving not only for the detailed abundance patterns but also the detailed temperature distributions (i.e., isochrones) of the stars in these galaxies. A variety of tests reveal that the systematic uncertainties in our measurements are probably 0.05 dex or less. Our derived [Mg/Fe] and [O/Fe] abundance ratios are 0.05-0.1 dex lower than most previous determinations. Under the conventional interpretation that the variation in these ratios is due to star formation timescale variations, our results suggest longer star formation timescales for massive early-type galaxies than previous studies. Detailed chemical evolution models are necessary in order to translate the abundance ratio distributions of these galaxies into constraints on their formation histories. Alternatively, these data may provide useful constraints on the nucleosynthetic pathways for elements whose production is not well understood.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Score-Based Physics-Informed Neural Networks for High-Dimensional Fokker–Planck Equations

The Fokker-Planck (FP) equation is a foundational partial differential equation (PDE) in stochastic processes involving Brownian motions. However, the curse of dimensionality (CoD) poses a formidable challenge when dealing with high-dimensional FP equations. Although Monte Carlo simulation and (vanilla) Physics-Informed Neural Networks (PINNs) have shown the potential to tackle CoD, both methods exhibit significant numerical errors in high dimensions when dealing with the probability density function (PDF) associated with Brownian motion. The point-wise PDF values tend to decrease exponentially as dimensionality increases, surpassing the precision of numerical simulations and resulting in substantial errors. In addition, due to its massive sampling, Monte Carlo fails to offer fast sampling. Modeling the logarithm likelihood (LL) via vanilla PINNs transforms the FP equation into a notoriously difficult Hamilton-Jacobi-Bellman (HJB) equation, which is impractical for PINN learning, whose error grows rapidly with dimension. To this end, we propose a novel approach utilizing a score-based solver to fit the score function in stochastic differential equations (SDEs). The score function, defined as the gradient of the LL, plays a fundamental role in inferring LL and PDF and enables fast SDE sampling, offering an effective means to overcome the CoD. Three fitting methods, Score Matching (SM), Sliced Score Matching (SSM), and Score-PINN, are introduced, each contributing unique advantages in computational complexity, accuracy, and generality. The proposed score-based SDE solver operates in two stages: first, employing score matching or Score-PINN to acquire the score function; and second, solving the LL via an ordinary differential equation (ODE) using the obtained score function. Comparative evaluations across these methods showcase varying trade-offs. The proposed methodology is evaluated across diverse SDEs, including anisotropic Ornstein-Uhlenbeck processes, geometric Brownian motion, and Brownian motion with varying eigenspace. We also test various distributions, including Gaussian, Log-normal, Laplace, and Cauchy distributions. The numerical results demonstrate the score-based SDE solver’s stability, speed, and performance across different experimental settings, solidifying its potential as a solution to CoD for high-dimensional FP equations.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Understanding the role of ultra-thin polymeric interlayers in improving efficiency of polymer light emitting diodes

Insertion of ultra-thin polymeric interlayers (ILs) between the poly(3,4-ethylenedioxythiophene):polystyrene sulphonate hole injection and poly(9,9-dioctylfluorene-alt-benzothiadiazole) (F8BT) light emission layers of polymer light emitting diodes (PLEDs) can significantly increase their efficiency. In this paper, we investigate experimentally a broad range of probable causes of this enhancement with an eye to determining which IL parameters have the most significant effects. The importance of hole injection and electron blocking was studied through varying the IL material (and consequently its electronic energy levels) for both PLED and hole-only diode structures. The role of IL conductivity was examined by introducing a varying level of charge-transfer doping through blending the IL materials with a strong electron-accepting small molecule in concentrations from 1% to 7% by weight. Depositing ILs with thicknesses below the exciton diffusion length of ∼15 nm allowed the role of the IL as a physical barrier to exciton quenching to be probed. IL containing PLEDs was also fabricated with Lumation Green Series 1300 (LG 1300) light emission layers. On the other hand, the PLEDs were modeled using a 3D multi-particle Kinetic Monte Carlo simulation coupled with an optical model describing how light is extracted from the PLED. The model describes charge carrier transport and interactions between electrons, holes, singlets, and triplets, with the current density, luminance, and recombination zone (RZ) locations calculated for each PLED. The model shows F8BT PLEDs have a narrow charge RZ adjacent to the anode, while LG 1300 PLEDs have a wide charge RZ that is evenly distributed across the light emitting layer. Varying the light emitting layer from F8BT to Lumation Green Series 1300, we therefore experimentally examine the dependence of the IL function, specifically in regard to anode-side exciton quenching, on the location of the RZ. We found an exponential dependence of F8BT PLED luminance on the difference, δ, in the highest occupied to lowest unoccupied molecular orbital energy gap between the light emitting polymer and a semiconducting polymeric IL, with δ consequently the most important parameter determining efficiency. Understanding the exponential effect that wider energy gap IL materials have on exciton quenching may allow δ to be used to better guide PLED structure design.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Electronic Structure Theory and Novel Materials

This grant supported research on electronic structure and materials theory, with focus on three main issues: (i) novel techniques to deal with correlation in the electronic ground-state, (ii) topological materials, (iii) the phase diagram of lattice spin models. Regarding (i), we applied to the homogeneous electron liquid an approach that we previously developed in the context of molecular systems. In this scheme the electronic occupation probabilities and the natural spin orbitals are used to construct an approximate two-body density matrix for the electronic ground-state. Regarding (ii) we used standard electronic structure methods based on density functional theory to model topological materials and interpret experimental observations. Finally, regarding (iii) we further developed a numerical approach to compute the renormalized couplings within real space renormalization group theory in the context of lattice spin models. The main findings were the following. (i) We found that with our approximate two-body density matrix, which works well for small molecules, is not sufficiently accurate for condensed phase systems. Missing a systematic way of improving on the adopted approximations, we decided not to pursue this approach. (ii) We performed two studies. In one, we investigated the influence of Te defects on the topological properties of a WTe2 monolayer, finding that while Te vacancies, even in modest concentration, destroy the topological character, Te adatoms do not, consistent with a recent experiment. In another study, we predicted Weyl semimetal character and strong anomalous Hall effect in the Heusler compensated ferrimagnet Ti2MnAl. (iii) We developed a new Monte Carlo method to do real space renormalization group calculations for lattice spin models. We subsequently extended the scheme to deal with lattice spin models in presence of quenched disorder, finding that the approach can distinguish systems with finite and strong disorder. In the finite disorder case, the method allows one to find with good approximation the critical coupling distribution and the critical exponents.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Parameterizations of Cloud Microphysics and Indirect Aerosol Effects

Aerosols and especially their effect on clouds are one of the key components of the climate system and the hydrological cycle [Ramanathan et al., 2001]. Yet, the aerosol effect on clouds remains largely unknown and the processes involved not well understood. A recent report published by the National Academy of Science states "The greatest uncertainty about the aerosol climate forcing - indeed, the largest of all the uncertainties about global climate forcing - is probably the indirect effect of aerosols on clouds [NRC, 2001]." The aerosol effect on clouds is often categorized into the traditional "first indirect (i.e., Twomey)" effect on the cloud droplet sizes for a constant liquid water path [Twomey, 1977] and the "semi-direct" effect on cloud coverage [e.g., Ackerman et al., 2000]. Enhanced aerosol concentrations can also suppress warm rain processes by producing a narrow droplet spectrum that inhibits collision and coalescence processes [e.g., Squires and Twomey, 1961; Warner and Twomey, 1967; Warner, 1968; Rosenfeld, 1999]. The aerosol effect on precipitation processes, also known as the second type of aerosol indirect effect [Albrecht, 1989], is even more complex, especially for mixed-phase convective clouds. Table 1 summarizes the key observational studies identifying the microphysical properties, cloud characteristics, thermodynamics and dynamics associated with cloud systems from high-aerosol continental environments. For example, atmospheric aerosol concentrations can influence cloud droplet size distributions, warm-rain process, cold-rain process, cloud-top height, the depth of the mixed phase region, and occurrence of lightning. In addition, high aerosol concentrations in urban environments could affect precipitation variability by providing an enhanced source of cloud condensation nuclei (CCN). Hypotheses have been developed to explain the effect of urban regions on convection and precipitation [van den Heever and Cotton, 2007 and Shepherd, 2005]. Recently, a detailed spectral-bin microphysical scheme was implemented into the Goddard Cumulus Ensemble (GCE) model. Atmospheric aerosols are also described using number density size-distribution functions. A spectral-bin microphysical model is very expensive from a computational point of view and has only been implemented into the 2D version of the GCE at the present time. The model is tested by studying the evolution of deep tropical clouds in the west Pacific warm pool region and summertime convection over a mid-latitude continent with different concentrations of CCN: a low "clean" concentration and a high "dirty" concentration. The impact of atmospheric aerosol concentration on cloud and precipitation will be investigated.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Sensitivity-Uncertainty Based Nuclear Criticality Safety Validation

These are slides from a seminar given to the University of Mexico Nuclear Engineering Department. Whisper is a statistical analysis package developed to support nuclear criticality safety validation. It uses the sensitivity profile data for an application as computed by MCNP6 along with covariance files for the nuclear data to determine a baseline upper-subcritical-limit for the application. Whisper and its associated benchmark files are developed and maintained as part of MCNP6, and will be distributed with all future releases of MCNP6. Although sensitivity-uncertainty methods for NCS validation have been under development for 20 years, continuous-energy Monte Carlo codes such as MCNP could not determine the required adjoint-weighted tallies for sensitivity profiles. The recent introduction of the iterated fission probability method into MCNP led to the rapid development of sensitivity analysis capabilities for MCNP6 and the development of Whisper. Sensitivity-uncertainty based methods represent the future for NCS validation – making full use of today’s computer power to codify past approaches based largely on expert judgment. Validation results are defensible, auditable, and repeatable as needed with different assumptions and process models. The new methods can supplement, support, and extend traditional validation approaches.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2010

HIERARCHICAL STELLAR STRUCTURES IN THE LOCAL GROUP DWARF GALAXY NGC 6822

We present a comprehensive study of the star cluster population and the hierarchical structure in the clustering of blue stars with ages {approx}<500 Myr in the Local Group dwarf irregular galaxy NGC 6822. Our observational material comprises the most complete optical stellar catalog of the galaxy from imaging with the Suprime-Cam at the 8.2 m Subaru Telescope. We identify 47 distinct star clusters with the application of the nearest-neighbor density method to this catalog for a detection threshold of 3{sigma} above the average stellar density. The size distribution of the detected clusters can be very well approximated by a Gaussian with a peak at {approx}68 pc. The total stellar masses of the clusters are estimated by extrapolating the cumulative observed stellar mass function of all clusters to be in the range 10{sup 3}-10{sup 4} M{sub sun}. Their number distribution is fitted very well by a power law with index {alpha} {approx} 1.5 {+-} 0.7, which is consistent with the cluster mass functions of other Local Group galaxies and the cluster initial mass function. In addition to the detected star clusters of the galaxy, the application of the nearest-neighbor density method for various density thresholds, other than 3{sigma}, enabled the identification of stellar concentrations in various lengthscales. The stellar density maps constructed with this technique provide a direct proof of hierarchically structured stellar concentrations in NGC 6822, in the sense that smaller dense stellar concentrations are located inside larger and looser ones. We illustrate this hierarchy by the so-called dendrogram, or structure tree of the detected stellar structures, which demonstrates that most of the detected structures split up into several substructures over at least three levels. We quantify the hierarchy of these structures with the use of the minimum spanning tree method. We find that structures detected at 1, 2, and 3{sigma} density thresholds are hierarchically constructed with a fractal dimension of D {approx} 1.8. Some of the larger stellar concentrations, particularly in the northern part of the central star-forming portion of the galaxy, coincide with IR-bright complexes previously identified with Spitzer and associated with high column density neutral gas, indicating structures that currently form stars. The morphological hierarchy in stellar clustering, which we observe in NGC 6822, resembles that of the turbulent interstellar matter, suggesting that turbulence on pc and kpc scales has been probably the major agent that regulated clustered star formation in NGC 6822.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

A Projected Network Model of Online Disinformation Cascades

Within the past half-decade, it has become overwhelmingly clear that suppressing the spread of deliberate false and misleading information is of the utmost importance for protecting democratic institutions. Disinformation has been found to come from both foreign and domestic actors, but the effects from either can be disastrous. From the simple encouragement of unwarranted distrust to conspiracy theories promoting violence, the results of disinformation have put the functionality of American democracy under direct threat. Present scientific challenges posed by this problem include detecting disinformation, quantifying its potential impact, and preventing its amplification. We present a model on which we can experiment with possible strategies toward the third challenge: the prevention of amplification. This is a social contagion network model, which is decomposed into layers to represent physical, ''offline'', interactions as well as virtual interactions on a social media platform. Along with the topological modifications to the standard contagion model, we use state-transition rules designed specifically for disinformation, and distinguish between contagious and non-contagious infected nodes. We use this framework to explore the effect of grassroots social movements on the size of disinformation cascades by simulating these cascades in scenarios where a proportion of the agents remove themselves from the social platform. We also test the efficacy of strategies that could be implemented at the administrative level by the online platform to minimize such spread. These top-down strategies include banning agents who disseminate false information, or providing corrective information to individuals exposed to false information to decrease their probability of believing it. We find an abrupt transition to smaller cascades when a critical number of random agents are removed from the platform, as well as steady decreases in the size of cascades with increasingly more convincing corrective information. Finally, we compare simulated cascades on this framework with real cascades of disinformation recorded on Whatsapp surrounding the 2019 Indian election. We find a set of hyperparameter values that produces a distribution of cascades matching the scaling exponent of the distribution of actual cascades recorded in the dataset. We acknowledge the available future directions for improving the performance of the framework and validation methods, as well as ways to extend the model to capture additional features of social contagion.

42 ENGINEERING↗
DOE OSTI2015

MafB antagonizes phenotypic alteration induced by GM-CSF in microglia

Microglia are tissue-resident macrophages which are distributed throughout the central nervous system (CNS). Recent studies suggest that microglia are a unique myeloid population distinct from peripheral macrophages in terms of origin and gene expression signature. Granulocyte-macrophage colony-stimulating factor (GM-CSF), a pleiotropic cytokine regulating myeloid development, has been shown to stimulate proliferation and alter phenotype of microglia in vitro. However, how its signaling is modulated in microglia is poorly characterized. MafB, a bZip transcriptional factor, is highly expressed in monocyte-macrophage lineage cells including microglia, although its role in microglia is largely unknown. We investigated the crosstalk between GM-CSF signaling and MafB by analyzing primary microglia. We found that Mafb-deficient microglia grew more rapidly than wild-type microglia in response to GM-CSF. Moreover, the expression of genes associated with microglial differentiation was more downregulated in Mafb-deficient microglia cultured with GM-CSF. Notably, such differences between the genotypes were not observed in the presence of M-CSF. In addition, we found that Mafb-deficient microglia cultured with GM-CSF barely extended their membrane protrusions, probably due to abnormal activation of RhoA, a key regulator of cytoskeletal remodeling. Altogether, our study reveals that MafB is a negative regulator of GM-CSF signaling in microglia. These findings could provide new insight into the modulation of cytokine signaling by transcription factors in microglia. - Highlights: • GM-CSF alters the phenotype of microglia in vitro more potently than M-CSF. • Transcription factor MafB antagonizes the effect of GM-CSF on microglia in vitro. • MafB deficiency leads to RhoA activation in microglia in response to GM-CSF. • We show for the first time the function of MafB in microglia.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2011

Generating Dynamic System Matrices for Dynamic SPECT

The purpose of the computer program is to generate system matrices that model data acquisition process in dynamic single photon emission computed tomography (SPECT). The application is for the reconstruction of dynamic data from projection measurements that provide the time evolution of activity uptake and wash out in an organ of interest. The measurement of the time activity in the blood and organ tissue provide time-activity curves (TACs) that are used to estimate kinetic parameters. The program provides a correct model of the in vivo spatial and temporal distribution of radioactive in organs. The model accounts for the attenuation of the internal emitting radioactivity, it accounts for the vary point response of the collimators, and correctly models the time variation of the activity in the organs. One important application where the software is being used in a measuring the arterial input function (AIF) in a dynamic SPECT study where the data are acquired from a slow camera rotation. Measurement of the arterial input function (AIF) is essential to deriving quantitative estimates of regional myocardial blood flow using kinetic models. A study was performed to evaluate whether a slowly rotating SPECT system could provide accurate AIF's for myocardial perfusion imaging (MPI). Methods: Dynamic cardiac SPECT was first performed in human subjects at rest using a Phillips Precedence SPECT/CT scanner. Dynamic measurements of Tc-99m-tetrofosmin in the myocardium were obtained using an infusion time of 2 minutes. Blood input, myocardium tissue and liver TACs were estimated using spatiotemporal splines. These were fit to a one-compartment perfusion model to obtain wash-in rate parameters K1. Results: The spatiotemporal 4D ML-EM reconstructions gave more accurate reconstructions that did standard frame-by-frame 3D ML-EM reconstructions. From additional computer simulations and phantom studies, it was determined that a 1 minute infusion with a SPECT system rotation speed providing 180 degrees of projection data every 54s can produce measurements of blood pool and myocardial TACs. This has important application in the circulation of coronary flow reserve using rest/stress dynamic cardiac SPECT. They system matrices are used in maximum likelihood and maximum a posterior formulations in estimation theory where through iterative algorithms (conjugate gradient, expectation maximization, or maximum a posteriori probability algorithms) the solution is determined that maximizes a likelihood or a posteriori probability function.

Source record↗
DOE OSTI2020

Electric and magnetic dipole strength in 112,114,116,118,120,124 Sn

Background: There is renewed interest in electric dipole strength distributions for a variety of reasons including the extraction of the dipole polarizability related to properties of the symmetry energy and a measure for the neutron skin thickness, understanding the structure of low-energy $\textit{E}$1 strength in nuclei with neutron excess, and establishing the systematics of the isovector giant dipole resonance (IVGDR). Inelastic proton scattering at energies of a few hundred MeV and very forward angles including 0° has been established as a tool for the study of electric and magnetic dipole strength distributions in nuclei. Purpose: The present work aims at a systematic investigation of the electric and magnetic dipole strength distributions in the chain of stable even-mass tin isotopes. Methods: Inelastic proton scattering experiments were performed at the Research Center for Nuclear Physics, Osaka, with a 295-MeV beam covering laboratory angles 0°–6° and excitation energies 6–22 MeV. Cross sections due to $\textit{E}$1 and $\textit{M}$1 excitations were extracted with a multipole decomposition analysis (MDA) and then converted to reduced transition probabilities with the “virtual photon method” for $\textit{E}$1 and the “unit cross section method” for $\textit{M}$1 excitations, respectively. Including a theory-aided correction for the high-excitation-energy region not covered experimentally, the electric dipole polarizability was determined from the $\textit{E}$1 strength distributions. Results: In this work, total photoabsorption cross sections derived from the $\textit{E}$1 and $\textit{M}$1 strength distributions show significant differences compared to those from previous ($\textit{γ, xn}$) experiments in the energy region of the IVGDR. The widths of the IVGDR deduced from the present data with a Lorentz parametrization show an approximately constant value of about 4.5 MeV in contrast to the large variations between isotopes observed in previous work. The IVGDR centroid energies are in good correspondence to expectations from empirical systematics of their mass dependence. Furthermore, a study of the dependence of the IVGDR energies on bulk matter properties is presented. The $\textit{E}$1 strengths below neutron threshold show fair agreement in this work with results from ($\textit{γ, γ'}$) experiments on 112,116,120,124 Sn in the energy region between 6 and 7 MeV, where also isoscalar $\textit{E}$1 strength was found for 124 Sn. At higher excitation energies, large differences are observed, pointing to a different nature of the excited states with small ground-state branching ratios. The isovector spin-$\textit{M}$1 strengths exhibit a broad distribution between 6 and 12 MeV in all studied nuclei. Conclusions: The present results contribute to the solution of a variety of nuclear structure problems including the systematics of the energy and width of the IVGDR, the structure of low-energy $\textit{E}$1 strength in nuclei, new constraints to energy density functionals (EDFs) aiming at a systematic description of the dipole polarizability across the nuclear chart, from which properties of the symmetry energy can be derived, and the systematics of the isovector spin-$\textit{M}$1 strength in heavy nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2019

RBFNN-based Minimum Entropy Filtering for a Class of Stochastic Nonlinear Systems

This paper presents a novel minimum entropy filter design for a class of stochastic nonlinear systems which are subjected to non-Gaussian noises. Motivated by stochastic distribution control, an output entropy model is developed using RBF neural network while the parameters of the model can be identified by the collected data. Based upon the presented model, the filtering problem has been investigated while the system dynamics have been represented. As the model output is the entropy of the estimation error, the optimal nonlinear filter is obtained based on the Lyapunov design which makes the model output minimum. Moreover, the entropy assignment problem has been discussed as an extension of the presented approach. To verify the presented design procedure, a numerical example is given which illustrates the effectiveness of the presented algorithm. The contributions of this paper can be included as 1) an output entropy model is presented using neural network; 2) a nonlinear filter design algorithm is developed as the main result and 3) a solution of entropy assignment problem is obtained which is an extension of the presented framework.

42 ENGINEERING↗
DOE OSTI2018

Transition from the twinning induced plasticity to the γ-ε transformation induced plasticity in a high manganese steel

Neutron-diffraction investigation on the deformation of a Fe-18Mn-3Si-0.6C-0.4Al steel reveals that the twinning is mainly dominant at a stress below 900 MPa, above which the twinning behavior is largely outweighed by phase transformation from the face-centered-cubic (FCC) γ-austenite to the hexagonal-close-packed (HCP) ε-martensite. In the deformed grains, the distribution of ε-martensite is parallel with the twin boundary. Both the well-known {111} γ //{0001} ε relationship and an additional {111} γ //{11–21} ε orientation relation were identified. After the phase transformation, both phases deformed further with the lattice rotating around an axis perpendicular to the tensile direction. Transition from the twinning dominant behavior to the phase transformation induced plasticity effect is explained by the grain orientation dependence of the effective stacking fault energy (ESFE). An asymmetric and inverse relationship between the width of stacking faults (SF) and the ESFE is obtained from the density functional theory (DFT). The tensile stress always increases proportionally with the SF width in the twinning favorable grains and thus a decreasing ESFE. The replacement of twinning activities by phase transformation could be due to both the nucleation site of ε-martensite at the SF of the twin boundary and the decrease of the ESFE in grains which originally favors the twinning.

Materials Science↗
DOE OSTI2024

PRISTINE: An Emulation Platform for PCB-Level Hardware Trojans

Printed circuit Boards (PCBs) are becoming increasingly vulnerable to malicious design alteration, also known as Trojan attacks, due to a distributed business model that often involves various untrusted parties. Such attacks can be mounted at various stages in the PCB life cycle. The relative ease of alteration of PCB hardware even after fabrication (due to physical access to surface-mounted critical components and traces) makes them attractive for an adversary to manipulate their functional/physical behavior for malicious intent. There is a growing need to explore viable Trojan attacks in a PCB, analyze their functional and physical characteristics (e.g., impact on power or delay), and study the effectiveness of countermeasures against these attacks. While simulation-based approaches for PCB Trojan insertion are effective at creating a large population of possible Trojans, they fail to provide functional feasibility analysis with a realistic workload for a trigger circuit. Also, they cannot estimate a Trojan’s side-channel footprint due to the unavailability of physical models of diverse PCB components. To address these deficiencies, in this paper, we present PRISTINE, a PCB-level emulation system for any integrity or physical tampering issues, specifically, hardware Trojan insertion. The need for building such an emulation platform to resolve PCB trust issues in the supply chain is also surveyed and discussed. Both custom Hardware Hacking (HaHa) boards and multiple commercial PCBs are then used to test the ability of the proposed system to emulate various hardware Trojans specially designed to exploit board-specific hardware characteristics. Experimental results on emulated board-level Trojans show that a wide range of Trojans can be successfully activated, thus enabling the expected payload effects on both types of boards to be studied and quantified. The resulting data are further analyzed to create PCB-level Trojan benchmarks. In particular, a comparative evaluation of the experimental results is used to propose a risk level metric that quantifies the probability of detection and degree of payload impact of each Trojan on a given commercial PCB.

47 OTHER INSTRUMENTATION↗
DOE OSTI2012

PROPER MOTIONS OF THE ARCHES CLUSTER WITH KECK LASER GUIDE STAR ADAPTIVE OPTICS: THE FIRST KINEMATIC MASS MEASUREMENT OF THE ARCHES

We report the first detection of the intrinsic velocity dispersion of the Arches cluster-a young ({approx}2 Myr), massive (10{sup 4} M{sub Sun }) starburst cluster located only 26 pc in projection from the Galactic center. This was accomplished using proper motion measurements within the central 10'' Multiplication-Sign 10'' of the cluster, obtained with the laser guide star adaptive optics system at Keck Observatory over a three-year time baseline (2006-2009). This uniform data set results in proper motion measurements that are improved by a factor {approx}5 over previous measurements from heterogeneous instruments. By careful, simultaneous accounting of the cluster and field contaminant distributions as well as the possible sources of measurement uncertainties, we estimate the internal velocity dispersion to be 0.15 {+-} 0.01 mas yr{sup -1}, which corresponds to 5.4 {+-} 0.4 km s{sup -1} at a distance of 8.4 kpc. Projecting a simple model for the cluster onto the sky to compare with our proper motion data set, in conjunction with surface density data, we estimate the total present-day mass of the cluster to be M(r < 1.0 pc) = 1.5{sup +0.74}{sub -0.60} Multiplication-Sign 10{sup 4} M{sub Sun }. The mass in stars observed within a cylinder of radius R (for comparison to photometric estimates) is found to be M(R < 0.4 pc) = 0.90{sup +0.40}{sub -0.35} Multiplication-Sign 10{sup 4} M{sub Sun} at formal 3{sigma} confidence. This mass measurement is free from assumptions about the mass function of the cluster, and thus may be used to check mass estimates from photometry and simulation. Photometric mass estimates assuming an initially Salpeter mass function ({Gamma}{sub 0} = 1.35, or {Gamma} {approx} 1.0 at present, where dN/d(log M){proportional_to}M{sup {Gamma}}) suggest a total cluster mass M{sub cl} {approx} (4-6) Multiplication-Sign 10{sup 4} M{sub Sun} and projected mass ({approx} 2 {<=} M(R < 0.4 pc) {<=} 3) Multiplication-Sign 10{sup 4} M{sub Sun }. Photometric mass estimates assuming a globally top-heavy or strongly truncated present-day mass function (PDMF; with {Gamma} {approx} 0.6) yield mass estimates closer to M(R < 0.4 pc) {approx} 1-1.2 Multiplication-Sign 10{sup 4} M{sub Sun }. Consequently, our results support a PDMF that is either top-heavy or truncated at low mass, or both. Collateral benefits of our data and analysis include: (1) cluster membership probabilities, which may be used to extract a clean-cluster sample for future photometric work; (2) a refined estimate of the bulk motion of the Arches cluster with respect to the field, which we find to be 172 {+-} 15 km s{sup -1}, which is slightly slower than suggested by previous measurements using one epoch each with the Very Large Telescope and the Keck telescope; and (3) a velocity dispersion estimate for the field itself, which is likely dominated by the inner Galactic bulge and the nuclear disk.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Carrier-specific dynamics in 2H-MoTe2 observed by femtosecond soft x-ray absorption spectroscopy using an x-ray free-electron laser

Femtosecond carrier dynamics in layered 2H-MoTe2 semiconductor crystals have been investigated using soft x-ray transient absorption spectroscopy at the x-ray free-electron laser (XFEL) of the Pohang Accelerator Laboratory. Following above-bandgap optical excitation of 2H-MoTe2, the photoexcited hole distribution is directly probed via short-lived transitions from the Te 3d5/2 core level (M5-edge, 572–577 eV) to transiently unoccupied states in the valence band. The optically excited electrons are separately probed via the reduced absorption probability at the Te M5-edge involving partially occupied states of the conduction band. A 400 ± 110 fs delay is observed between this transient electron signal near the conduction band minimum compared to higher-lying states within the conduction band, which we assign to hot electron relaxation. Additionally, the transient absorption signals below and above the Te M5 edge, assigned to photoexcited holes and electrons, respectively, are observed to decay concomitantly on a 1–2 ps timescale, which is interpreted as electron–hole recombination. The present work provides a benchmark for applications of XFELs for soft x-ray absorption studies of carrier-specific dynamics in semiconductors, and future opportunities enabled by this method are discussed.

2D materials↗
DOE OSTI2011

Universality in D-brane inflation

We study the six-field dynamics of D3-brane inflation for a general scalar potential on the conifold, finding simple, universal behavior. We numerically evolve the equations of motion for an ensemble of more than 7·10{sup 7} realizations, drawing the coefficients in the scalar potential from statistical distributions whose detailed properties have demonstrably small effects on our results. When prolonged inflation occurs, it has a characteristic form: the D3-brane initially moves rapidly in the angular directions, spirals down to an inflection point in the potential, and settles into single-field inflation. The probability of N{sub e} e-folds of inflation is a power law, P(N{sub e})∝N{sub e}{sup −3}, and we derive the same exponent from a simple analytical model. The success of inflation is relatively insensitive to the initial position: we find attractor behavior in the angular directions, and the D3-brane can begin far above the inflection point without overshooting. Initial radial or angular velocities, on the other hand, can have a significant effect on the duration of inflation. In favorable regions of the spaces of initial velocities and of Lagrangian parameters, models yielding 60 e-folds of expansion arise approximately once in 10{sup 3} trials. Realizations that are effectively single-field and give rise to a primordial spectrum of fluctuations consistent with WMAP, for which at least 120 e-folds are required, arise approximately once in 10{sup 5} trials. The emergence of robust predictions from a six-field potential with hundreds of terms invites an analytic approach to multifield inflation.

79 ASTRONOMY AND ASTROPHYSICS↗