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DOE OSTI2016

Marginal breaking of conformal SUSY QCD

We provide an example of a 4D theory that exhibits the Contino-Pomarol-Rattazzi mechanism, where breaking conformal symmetry by an almost marginal operator leads to a light pseudo-Goldstone boson, the dilaton, and a parametrically suppressed contribution to vacuum energy. We consider SUSY QCD at the edge of the conformal window and break conformal symmetry by weakly gauging a subgroup of the flavor symmetry. Using Seiberg duality we show that for a range of parameters the singlet meson in the dual theory reaches the unitarity bound, however, this theory does not have a stable vacuum. We stabilize the vacuum with soft breaking terms, compute the mass of the dilaton, and determine the range of parameters where the leading contribution to the dilaton mass is from the almost marginal coupling.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Transverse momentum dependent PDFs at N3LO

We compute the quark and gluon transverse momentum dependent parton distribution functions at next-to-next-to-next-to-leading order (N 3 LO) in perturbative QCD. Our calculation is based on an expansion of the differential Drell-Yan and gluon fusion Higgs production cross sections about their collinear limit. This method allows us to employ cutting edge multiloop techniques for the computation of cross sections to extract these universal building blocks of the collinear limit of QCD. The corresponding perturbative matching kernels for all channels are expressed in terms of simple harmonic polylogarithms up to weight five. As a byproduct, we confirm a previous computation of the soft function for transverse momentum factorization at N 3 LO. Our results are the last missing ingredient to extend the q T subtraction methods to N 3 LO and to obtain resummed q T spectra at N 3 LL' accuracy both for gluon as well as for quark initiated processes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2017

Infrared divergences in QED revisited

Recently it has been demonstrated that the vacuum state in QED is infinitely degenerate. Moreover a transition among the degenerate vacua is induced in any nontrivial scattering process and determined from the associated soft factor. Conventional computations of scattering amplitudes in QED do not account for this vacuum degeneracy and therefore always give zero. This vanishing of all conventional QED amplitudes is usually attributed to infrared divergences. In this work, we show that if these vacuum transitions are properly accounted for, the resulting amplitudes are nonzero and infrared finite. Our construction of finite amplitudes is mathematically equivalent to, and amounts to a physical reinterpretation of, the 1970 construction of Faddeev and Kulish.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

A buckling-sheet ring oscillator for electronics-free, multimodal locomotion

Locomotion of soft robots typically relies on control of multiple inflatable actuators by electronic computers and hard valves. Soft pneumatic oscillators can reduce the demand on controllers by generating complex movements required for locomotion from a single, constant input pressure, but either have been constrained to low rates of flow of air or have required complex fabrication processes. Here, we describe a pneumatic oscillator fabricated from flexible, but inextensible, sheets that provides high rates of airflow for practical locomotion by combining three instabilities: out-of-plane buckling of the sheets, kinking of tubing attached to the sheets, and a system-level instability resulting from connection of an odd number of pneumatic inverters made from these sheets in a loop. This device, which we call a “buckling-sheet ring oscillator” (BRO), directly generates movement from its own interaction with its surroundings and consists only of readily available materials assembled in a simple process—specifically, stacking acetate sheets, nylon film, and double-sided tape, and attaching an elastomeric tube. A device incorporating a BRO is capable of both translational and rotational motion over varied terrain (even without a tether) and can climb upward against gravity and downward against the buoyant force encountered under water.

Robotics↗

DOE OSTI2012

Impact of Computed Tomography Image Quality on Image-Guided Radiation Therapy Based on Soft Tissue Registration

Purpose: In image-guided radiation therapy (IGRT), different computed tomography (CT) modalities with varying image quality are being used to correct for interfractional variations in patient set-up and anatomy changes, thereby reducing clinical target volume to the planning target volume (CTV-to-PTV) margins. We explore how CT image quality affects patient repositioning and CTV-to-PTV margins in soft tissue registration-based IGRT for prostate cancer patients. Methods and Materials: Four CT-based IGRT modalities used for prostate RT were considered in this study: MV fan beam CT (MVFBCT) (Tomotherapy), MV cone beam CT (MVCBCT) (MVision; Siemens), kV fan beam CT (kVFBCT) (CTVision, Siemens), and kV cone beam CT (kVCBCT) (Synergy; Elekta). Daily shifts were determined by manual registration to achieve the best soft tissue agreement. Effect of image quality on patient repositioning was determined by statistical analysis of daily shifts for 136 patients (34 per modality). Inter- and intraobserver variability of soft tissue registration was evaluated based on the registration of a representative scan for each CT modality with its corresponding planning scan. Results: Superior image quality with the kVFBCT resulted in reduced uncertainty in soft tissue registration during IGRT compared with other image modalities for IGRT. The largest interobserver variations of soft tissue registration were 1.1 mm, 2.5 mm, 2.6 mm, and 3.2 mm for kVFBCT, kVCBCT, MVFBCT, and MVCBCT, respectively. Conclusions: Image quality adversely affects the reproducibility of soft tissue-based registration for IGRT and necessitates a careful consideration of residual uncertainties in determining different CTV-to-PTV margins for IGRT using different image modalities.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2016

Verifying quantitative reliability for programs that execute on unreliable hardware

Emerging high-performance architectures are expected to contain unreliable components that may exhibit soft errors, which silently corrupt the results of computations. Full detection and masking of soft errors is challenging, expensive, and, for some applications, unnecessary. For example, approximate computing applications (such as multimedia processing, machine learning, and big data analytics) can often naturally tolerate soft errors. We introduce Rely, a programming language that enables developers to reason about the quantitative reliability of an application—namely, the probability that it produces the correct result when executed on unreliable hardware. Rely allows developers to specify the reliability requirements for each value that a function produces. We perform a static quantitative reliability analysis that verifies quantitative requirements on the reliability of an application, enabling a developer to perform sound and verified reliability engineering. The analysis takes a Rely program with a reliability specification and a hardware specification that characterizes the reliability of the underlying hardware components and verifies that the program satisfies its reliability specification when executed on the underlying unreliable hardware platform. We demonstrate the application of quantitative reliability analysis on six computations implemented in Rely.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2020

FPDetect: Efficient Reasoning About Stencil Programs Using Selective Direct Evaluation

We present FPDetect, a low-overhead approach for detecting logical errors and soft errors affecting stencil computations without generating false positives. We develop an offline analysis that tightly estimates the number of floating-point bits preserved across stencil applications. This estimate rigorously bounds the values expected in the data space of the computation. Violations of this bound can be attributed with certainty to errors. FPDetect helps synthesize error detectors customized for user-specified levels of accuracy and coverage. FPDetect also enables overhead reduction techniques based on deploying these detectors coarsely in space and time. Experimental evaluations demonstrate the practicality of our approach.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

Computer Simulations of Bottle Brushes: From Melts to Soft Networks

We use a combination of Molecular dynamics simulations and analytical calculations, and study dens bottle-brush systems in a melt and network State. Analysis of our simulation results shows that bottle-brush macromolecules in melt behave as ideal chains with effective Kuhn length b K . Simulations show that the bottle-brush-induced bending rigidity is due to an entropy decrease caused by redistribution of the side chains upon backbone bending. The Kuhn length of the bottle:brushes increases with increasing the side-chain degree of polymerization n sc as b K proportional to n sc 0.46 . Moreover, this model of bottle brush macromolecules is extended to describe mechanical properties of bottle brush networks in linear and nonlinear deformation regimes. In the linear deformation regime, the network shear modulus scales with the degree of polymerization of the side chains as G 0 proportional to (n sc + 1) -1 as long as the ratio of the Kuhn length, b K , to the size of the fully extended bottle-brush backbone between cross-links, R-max, is smaller than unity, b K /R max << 1. Bottle-brush networks With b K /R max proportional to 1 demonstrate behavior similar to that of networks Of semiflexible chains with G 0 proportional to n sc -0.5 . Finally, in the nonlinear network deformation regime, the deformation-dependent shear modulus is a universal function of the first strain invariant I 1 and bottle-brush backbone deformation ratio beta describing stretching ability of the bottle-brush backbone between cross-links.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Open Call LDRD: Physically Informed Autoencoders for Galactic Redshift Regression

Physical constraints have been suggested to make neural network models more generalizable, act scientifically plausible, and be more data-efficient over unconstrained baselines. In this report, we present preliminary work on evaluating the effects of adding soft physical constraints to computer vision neural networks trained to estimate the conditional density of redshift on input galaxy images for the Sloan Digital Sky Survey. We introduce physically motivated soft constraint terms that are not implemented with differential or integral operators. We frame this work as a simple ablation study where the effect of including soft physical constraints is compared to an unconstrained baseline. We compare networks using standard point estimate metrics for photometric redshift estimation, as well as metrics to evaluate how faithful our conditional density estimate represents the probability over the ensemble of our test dataset. We find no evidence that the implemented soft physical constraints are more effective regularizers than augmentation.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Active-noise-induced dynamic clustering of passive colloidal particles

Active fluids generate spontaneous, often chaotic mesoscale flows. Harnessing these flows to drive soft materials embedded within an active fluid into structures with controlled length scales and lifetimes is a key challenge at the interface between the fields of active matter and nonequilibrium self-assembly. Here, we present a simple and efficient computational approach to model soft materials advected by active fluids, by simulating particles moving in a spatiotemporally correlated noise field. To illustrate our approach, we simulate the dynamical self-organization of repulsive colloids within such an active noise field. The colloids form structures whose sizes and dynamics can be tuned by the correlation time and length of the active fluid, and range from small rotating droplets to clusters with internal flows and system-spanning sizes that vastly exceed the active correlation length. Our results explain how the interplay between active fluid time and length scales and emergent driven assembly can be used to rationally design functional assemblies. More broadly, our approach can be used to efficiently simulate diverse active fluids and other systems with spatiotemporally correlated noise.

Brownian dynamics↗

DOE OSTI2015

Soft, curved electrode systems capable of integration on the auricle as a persistent brain–computer interface

Some recent advances in electrodes for noninvasive recording of electroencephalograms expand opportunities collecting such data for diagnosis of neurological disorders and brain–computer interfaces. Existing technologies, but, cannot be used effectively in continuous, uninterrupted modes for more than a few days due to irritation and irreversible degradation in the electrical and mechanical properties of the skin interface. We introduce a soft, foldable collection of electrodes in open, fractal mesh geometries that can mount directly and chronically on the complex surface topology of the auricle and the mastoid, to provide high-fidelity and long-term capture of electroencephalograms in ways that avoid any significant thermal, electrical, or mechanical loading of the skin. Experimental and computational studies establish the fundamental aspects of the bending and stretching mechanics that enable this type of intimate integration on the highly irregular and textured surfaces of the auricle. Furthermore, cell level tests and thermal imaging studies establish the biocompatibility and wearability of such systems, with examples of high-quality measurements over periods of 2 wk with devices that remain mounted throughout daily activities including vigorous exercise, swimming, sleeping, and bathing. Demonstrations include a text speller with a steady-state visually evoked potential-based brain–computer interface and elicitation of an event-related potential (P300 wave).

60 APPLIED LIFE SCIENCES↗

DOE OSTI2024

HAPPA: A Modular Platform for HPC Application Resilience Analysis with LLMs Embedded

High-performance computing (HPC) systems are increasingly vulnerable to soft errors, which pose significant challenges in maintaining computational accuracy and reliability. Predicting the resilience of HPC applications to these errors is crucial for robust code protection and detailed resilience analysis. In this study, we present HAppA, a modular platform designed for HPC Application Resilience Analysis. Embedding Large Language Models (LLMs), HAppA addresses understanding the context information of long code sequences typical in HPC applications. HAppA implements a novel code representation module that chunks the code into fixed-size segments and aggregates the embeddings of these segments. Three aggregation methods have been explored: MeanPooling, MaxPooling, and LSTM-based techniques. We built a DAtaset for REsilience analysis using Fault Injection (FI), named DARE. Using our DARE dataset, HAppA is trained for regression prediction tasks. Our evaluation results demonstrate the predictive accuracy of HAppA compared to other models, particularly noting that the LSTM-based aggregation method -- HAppA-LSTM -- achieves a mean squared error (MSE) of 0.078 for SDC prediction, surpassing the existing state-of-the-art PARIS model, which recorded an MSE of 0.1172. Additionally, HAppA with the KeyBERT model extracts a list of keywords representing the source code. A comprehensive importance analysis of these keywords further elucidates the code patterns contributing to the error rate. These findings highlight the effectiveness of HAppA in analyzing the resilience of HPC applications and establish a new benchmark for predictive accuracy in resilience.

Jiang, Hailong [Kent State University]↗

DOE OSTI2023

Liveness as a factor to evaluate memory vulnerability to soft errors

Memory, used by a computer to store data, is generally prone to faults, including permanent faults (i.e. relating to a lifetime of the memory hardware), and also transient faults (i.e. relating to some external cause) which are otherwise known as soft errors. Since soft errors can change the state of the data in the memory and thus cause errors in applications reading and processing the data, there is a desire to characterize the degree of vulnerability of the memory to soft errors. In particular, once the vulnerability for a particular memory to soft errors has been characterized, cost/reliability trade-offs can be determined, or soft error detection mechanisms (e.g. parity) may be selectively employed for the memory. In some cases, memory faults can be diagnosed by redundant execution and a diagnostic coverage may be determined.

Bramley, Richard Gavin↗

DOE OSTI2019

Aspects of heavy flavor jet physics in heavy ion collisions

In these proceedings I discuss several recent developments in the physics of heavy flavor jets in heavy ion collisions. i) The dijet mass modification in nucleus-nucleus reactions has been proposed as a new observable with enhanced sensitivity to parton energy loss in nuclear matter. It also enables more precise studies of heavy quark mass effects on parton shower formation. ii) Computational techniques from soft-collinear effective theory have allowed us to bridge the gap between high energy and heavy ion QCD phenomenology. I show the first application of the semi-inclusive jet function formalism to heavy flavor jet production in proton-nucleus and nucleus-nucleus collisions at the LHC. iii) Last but not least, central to the theoretical calculations of heavy flavor jets is the accurate theoretical description of in-medium parton showers. A formalism to compute branching processes in nuclear matter to any desired order in opacity has been developed and illustrative numerical results are presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

EFT for soft drop double differential cross section

We develop a factorization framework to compute the double differential cross section in soft drop groomed jet mass and groomed jet radius. We describe the effective theories in the large, intermediate, and small groomed jet radius regions defined by the interplay of the jet mass and the groomed jet radius measurement. As an application we present the NLL' results for the perturbative moments that are related to the coefficients C 1 and C 2 that specify the leading hadronization corrections up to three universal parameters. We compare our results with Monte Carlo simulations and a calculation using the coherent branching method.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Development of soft-sphere contact models for thermal heat conduction in granular flows

Conductive heat transfer to flowing particles occurs when two particles (or a particle and wall) come into contact. The direct conduction between the two bodies depends on the collision dynamics, namely the size of the contact area and the duration of contact. For soft-sphere discrete-particle simulations, it is computationally expensive to resolve the true collision time because doing so would require a restrictively small numerical time step. To improve the computational speed, it is common to increase the 'softness' of the material to artificially increase the collision time, but doing so affects the heat transfer. In this work, two physically-based correction terms are derived to compensate for the increased contact area and time stemming from artificial particle softening. By including both correction terms, the impact that artificial softening has on the conductive heat transfer is removed, thus enabling simulations at greatly reduced computational times without sacrificing physical accuracy.

14 SOLAR ENERGY↗

DOE OSTI2021

Oxidative Dehydrogenation of Propane to Propylene with Soft Oxidants via Heterogeneous Catalysis

Oxidative dehydrogenation of propane to propylene can be achieved using conventional, oxygen-assisted dehydrogenation of propane (O 2 –ODHP) or via the use of soft oxidants, such as CO 2 , N 2 O, S-containing compounds, and halogens/halides. The major roles of soft oxidants include inhibiting overoxidation and improving propylene selectivity, which are considered to be current challenges in O 2 -assisted dehydrogenation. For both CO 2 – and N 2 O–ODHP reactions, significant efforts have been devoted to developing redox-active (e.g., chromium, vanadate, iron, etc.), nonredox-type main group metal oxide (e.g., group IIIA, gallium), and other transition metal/metal oxide catalysts (e.g., molybdenum, palladium platinum, rhodium, ruthenium, etc.), as well as zeolite-based catalysts with adjustable acid–base properties, unique pore structures, and topologies. Metal sulfides have shown promising performance in DHP, whereas the development of suitable catalysts has lagged for SO 2 - or S-assisted ODHP. Recently, significant efforts have been focused on homogeneous and heterogeneous ODHP using halogens (e.g., Br 2 , I 2 , Cl 2 , etc.) and hydrogen halides (e.g., HCl and HBr) for the development of facile processes for C 3 H 6 synthesis. This work aims to provide a critical, comprehensive review of recent advances in oxidative dehydrogenation of propane with these soft oxidants, especially highlighting the current state of understanding of the following factors: (i) relationships between composition, structure, and catalytic performance, (ii) effects of the support, acidity, and promoters, (iii) reaction pathway and mechanistic insights, and (iv) the various roles of soft oxidants. Theoretical and computational insights toward understanding reaction mechanisms and catalyst design principles are also covered. Future research opportunities are discussed in terms of catalyst design and synthesis, deactivation and regeneration, reaction mechanisms, and alternative approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Measurement of the jet mass in hadronic decays of boosted W bosons at 13 TeV and extraction of the W boson mass

The jet mass of W bosons decaying to a quark-antiquark pair is measured in W+jets events from proton-proton collisions at a center-of-mass energy of 13 TeV. The data used were collected by the CMS experiment at the CERN LHC and correspond to an integrated luminosity of 138 fb −1 . Hadronic decays of W bosons with high momenta produce strongly collimated decay products due to the large Lorentz boost, and are reconstructed as single large-radius jets. These jets have a characteristic substructure that is exploited to distinguish them from the large background of quark- and gluon-initiated jets. The jet mass is computed using the soft-drop algorithm, which suppresses soft wide-angle radiation that leads to a broadening of the jet mass distribution. For the first time, unfolded measurements are presented of the double-differential W+jets cross section as a function of the jet transverse momentum and soft-drop mass. From these distributions, the W boson mass is obtained, with a value of 80.83 ± 0.55 GeV in a scheme with mass-dependent width, achieving the smallest uncertainty available today from an all-jets final state at a hadron collider.

hadron-hadron scattering↗