Results for “model weights” — Page 100

DOE OSTI2025

Ultrabroadband THz conductivity of gated graphene in- and out-of-equilibrium

We employ ultrabroadband terahertz (THz) spectroscopy to expose the high-frequency transport properties of Dirac fermions in monolayer graphene. By controlling the carrier concentration via tunable electrical gating, both equilibrium and transient optical conductivities are obtained for a range of Fermi levels. The frequency-dependent equilibrium response is determined through a combination of time-domain THz and Fourier-transform infrared spectroscopy for energies up to the near-infrared, which also provides a measure of the gate-voltage dependent Fermi level. Transient changes in the real and imaginary parts of the graphene conductivity are electro-optically resolved for frequencies up to 15 THz after near-infrared femtosecond excitation, both at the charge-neutral point and for higher electrostatic-doping levels. Modeling of the THz response provides insight into changes of the carrier spectral weights and scattering rates, and reveals an additional broad-frequency ($$\approx$$ 8 THz) component to the photo-induced response, which we attribute to the zero-momentum mode of quantum-critical transport observed here in large-area CVD graphene.

Coslovich, G↗

DOE OSTI2014

Interference of probabilities in dynamics

A new class of dynamical systems with a preset type of interference of probabilities is introduced. It is obtained from the extension of the Madelung equation by replacing the quantum potential with a specially selected feedback from the Liouville equation. It has been proved that these systems are different from both Newtonian and quantum systems, but they can be useful for modeling spontaneous collective novelty phenomena when emerging outputs are qualitatively different from the weighted sum of individual inputs. Formation of language and fast decision-making process as potential applications of the probability interference is discussed.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Safety assessment of historical masonry churches based on pre-assigned kinematic limit analysis, FE limit and pushover analyses

This study presents some results of a comprehensive numerical analysis on three masonry churches damaged by the recent Emilia-Romagna (Italy) seismic events occurred in May 2012. The numerical study comprises: (a) pushover analyses conducted with a commercial code, standard nonlinear material models and two different horizontal load distributions; (b) FE kinematic limit analyses performed using a non-commercial software based on a preliminary homogenization of the masonry materials and a subsequent limit analysis with triangular elements and interfaces; (c) kinematic limit analyses conducted in agreement with the Italian code and based on the a-priori assumption of preassigned failure mechanisms, where the masonry material is considered unable to withstand tensile stresses. All models are capable of giving information on the active failure mechanism and the base shear at failure, which, if properly made non-dimensional with the weight of the structure, gives also an indication of the horizontal peak ground acceleration causing the collapse of the church. The results obtained from all three models indicate that the collapse is usually due to the activation of partial mechanisms (apse, façade, lateral walls, etc.). Moreover the horizontal peak ground acceleration associated to the collapse is largely lower than that required in that seismic zone by the Italian code for ordinary buildings. These outcomes highlight that structural upgrading interventions would be extremely beneficial for the considerable reduction of the seismic vulnerability of such kind of historical structures.

42 ENGINEERING↗

DOE OSTI2015

Intrinsic evolutions of dielectric function and electronic transition in tungsten doping Ge{sub 2}Sb{sub 2}Te{sub 5} phase change films discovered by ellipsometry at elevated temperatures

Tungsten (W) doping effects on Ge{sub 2}Sb{sub 2}Te{sub 5} (GSTW) phase change films with different concentrations (3.2, 7.1, and 10.8%) have been investigated by variable-temperature spectroscopic ellipsometry. The dielectric functions from 210 K to 660 K have been evaluated with the aid of Tauc-Lorentz and Drude dispersion models. The analysis of Tauc gap energy (E{sub g}) and partial spectral weight integral reveal the correlation between optical properties and local structural change. The order degree increment and chemical bond change from covalent to resonant should be responsible for band gap narrowing and electronic transition enhancement during the phase change process. It is found that the elevated crystalline temperature for GSTW can be related to improved disorder degree. Furthermore, the shrinkage of E{sub g} for GSTW should be attributed to the enhanced metallicity compared with undoped GST.

36 MATERIALS SCIENCE↗

DOE OSTI2016

A numerical study of shock waves generated through laser ablation of explosives

Shock waves resulting from irradiation of energetic materials with a pulsed ultraviolet laser source have been shown to be an effective indicator for explosives detection. In this study, the features of shock wave propagation are explored theoretically. The initial stage of the shock motion is simulated as a one-dimensional process. As the nonlinear wave expands to form a blast wave, a system of conservation equations, simplified to the Euler equations, is employed to model wave propagation. The Euler equations are solved numerically by the 5th order weighted essentially non-oscillatory finite difference scheme with the time integration carried out using the 3rd order total variation diminishing Runge Kutta method. The numerical results for the shock wave evolution are compared with those obtained from experiments with a meltcast 2,6-dinitrotoluene sample. The calculations lay a theoretical foundation for a recently investigated technique for photoacoustically sensing explosives using a vibrometer.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2022

Critical points of the random cluster model with Newman–Ziff sampling

Here, we present a method for computing transition points of the random cluster model using a generalization of the Newman–Ziff algorithm, a celebrated technique in numerical percolation, to the random cluster model. The new method is straightforward to implement and works for real cluster weight q > 0. Furthermore, results for an arbitrary number of values of q can be found at once within a single simulation. Because the algorithm used to sweep through bond configurations is identical to that of Newman and Ziff, which was conceived for percolation, the method loses accuracy for large lattices when q > 1. However, by sampling the critical polynomial, accurate estimates of critical points in two dimensions can be found using relatively small lattice sizes, which we demonstrate here by computing critical points for non-integer values of q on the square lattice, to compare with the exact solution, and on the unsolved non-planar square matching lattice. The latter results would be much more difficult to obtain using other techniques.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Entanglement features of random neural network quantum states

Restricted Boltzmann machines (RBMs) are a class of neural networks that have been successfully employed as a variational ansatz for quantum many-body wave functions. Here, we develop an analytic method to study quantum many-body spin states encoded by random RBMs with independent and identically distributed complex Gaussian weights. By mapping the computation of ensemble-averaged quantities to statistical mechanics models, we are able to investigate the parameter space of the RBM ensemble in the thermodynamic limit. We discover qualitatively distinct wave functions by varying RBM parameters, which correspond to distinct phases in the equivalent statistical mechanics model. Notably, there is a regime in which the typical RBM states have near-maximal entanglement entropy in the thermodynamic limit, similar to that of Haar-random states. However, these states generically exhibit nonergodic behavior in the Ising basis, and do not form quantum state designs, making them distinguishable from Haar-random states.

36 MATERIALS SCIENCE↗

DOE OSTI2017

Supersymmetric Sachdev-Ye-Kitaev models

We discuss a supersymmetric generalization of the Sachdev-Ye-Kitaev (SYK) model. These are quantum mechanical models involving N Majorana fermions. The supercharge is given by a polynomial expression in terms of the Majorana fermions with random coefficients. The Hamiltonian is the square of the supercharge. The N = 1 model with a single supercharge has unbroken supersymmetry at large N , but nonperturbatively spontaneously broken supersymmetry in the exact theory. We analyze the model by looking at the large N equation, and also by performing numerical computations for small values of N . We also compute the large N spectrum of “singlet” operators, where we find a structure qualitatively similar to the ordinary SYK model. We also discuss an N = 2 version. In this case, the model preserves supersymmetry in the exact theory and we can compute a suitably weighted Witten index to count the number of ground states, which agrees with the large N computation of the entropy. In both cases, we discuss the supersymmetric generalizations of the Schwarzian action which give the dominant effects at low energies.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2018

Real-space refinement in PHENIX for cryo-EM and crystallography

This article describes the implementation of real-space refinement in the phenix.real_space_refine program from the PHENIX suite. The use of a simplified refinement target function enables very fast calculation, which in turn makes it possible to identify optimal data-restraint weights as part of routine refinements with little runtime cost. Refinement of atomic models against low-resolution data benefits from the inclusion of as much additional information as is available. In addition to standard restraints on covalent geometry, phenix.real_space_refine makes use of extra information such as secondary-structure and rotamer-specific restraints, as well as restraints or constraints on internal molecular symmetry. The re-refinement of 385 cryo-EM-derived models available in the Protein Data Bank at resolutions of 6 Å or better shows significant improvement of the models and of the fit of these models to the target maps.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

A Privacy-Aware Federated Learning Framework for Distributed Energy Resource Analytics in Constrained Environments

To be resilient against extreme weather events, the rural communities in Puerto Rico are leveraging distributed energy resources (DER). However, computing frameworks sup-porting the grid in critical decision-making are still largely centralized. Sensitive consumer data are transmitted over the Internet or cellular networks to a secondary or tertiary node. It guarantees better situational awareness at the cost of a wider attack surface, jeopardizing user privacy, as more DER come online. Cloud, Edge, and Fog computing all require data aggregation at some level. This paper introduces a privacy-aware federated learning framework that leverages the Fog model by pushing analytics all the way to the DER and load assets. These local models train on individual asset data and transmit only learned parameters (such as weights) over secure communications to a global decision-maker. By abstracting personally identifiable consumer data without impacting decision optimality, this framework better aligns with distributed power generation paradigm.

Sundararajan, Aditya↗

DOE OSTI2016

WE-FG-BRB-02: Spatial Mapping of the RBE of Scanned Particle Beams

The physical pattern of energy deposition and the enhanced relative biological effectiveness (RBE) of protons and carbon ions compared to photons offer unique and not fully understood or exploited opportunities to improve the efficacy of radiation therapy. Variations in RBE within a pristine or spread out Bragg peak and between particle types may be exploited to enhance cell killing in target regions without a corresponding increase in damage to normal tissue structures. In addition, the decreased sensitivity of hypoxic tumors to photon-based therapies may be partially overcome through the use of more densely ionizing radiations. These and other differences between particle and photon beams may be used to generate biologically optimized treatments that reduce normal tissue complications. In this symposium, speakers will examine the impact of the RBE of charged particles on measurable biological endpoints, treatment plan optimization, and the prediction or retrospective assessment of treatment outcomes. In particular, an AAPM task group was formed to critically examine the evidence for a spatially-variant RBE in proton therapy. Current knowledge of proton RBE variation with respect to dose, biological endpoint, and physics parameters will be reviewed. Further, the clinical relevance of these variations will be discussed. Recent work focused on improving simulations of radiation physics and biological response in proton and carbon ion therapy will also be presented. Finally, relevant biology research and areas of research needs will be highlighted, including the dependence of RBE on genetic factors including status of DNA repair pathways, the sensitivity of cancer stem-like cells to charged particles, the role of charged particles in hypoxic tumors, and the importance of fractionation effects. In addition to the physical advantages of protons and more massive ions over photons, the future application of biologically optimized treatment plans and their potential to provide higher levels of local tumor control and improved normal tissue sparing will be discussed. Learning Objectives: To assess whether the current practice of a constant RBE of 1.1 should be revised or maintained in proton therapy and to evaluate the potential clinical consequences of delivering RBE-weighted dose distributions based on variable RBE To review current research on biological models used to predict the increased biological effectiveness of proton and carbon ions to help move towards a practical understanding and implementation of biological optimization in particle therapy To discuss potential differences in biological mechanisms between photons and charged particles (light and heavy ions) that could impact clinical cancer therapy H. Paganetti, NCI U19 CA21239D. Grosshans, Our research is supported by the NCIK. Held, Funding Support: National Cancer Institute of the National Institutes of Health, USA, under Award Number R21CA182259 and Federal Share of Program Income Earned by Massachusetts General Hospital on C06CA059267, Proton Therapy Research and Treatment Center.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

WE-FG-BRB-03: Challenges and Opportunities for Implementing Biological Optimization in Particle Therapy

The physical pattern of energy deposition and the enhanced relative biological effectiveness (RBE) of protons and carbon ions compared to photons offer unique and not fully understood or exploited opportunities to improve the efficacy of radiation therapy. Variations in RBE within a pristine or spread out Bragg peak and between particle types may be exploited to enhance cell killing in target regions without a corresponding increase in damage to normal tissue structures. In addition, the decreased sensitivity of hypoxic tumors to photon-based therapies may be partially overcome through the use of more densely ionizing radiations. These and other differences between particle and photon beams may be used to generate biologically optimized treatments that reduce normal tissue complications. In this symposium, speakers will examine the impact of the RBE of charged particles on measurable biological endpoints, treatment plan optimization, and the prediction or retrospective assessment of treatment outcomes. In particular, an AAPM task group was formed to critically examine the evidence for a spatially-variant RBE in proton therapy. Current knowledge of proton RBE variation with respect to dose, biological endpoint, and physics parameters will be reviewed. Further, the clinical relevance of these variations will be discussed. Recent work focused on improving simulations of radiation physics and biological response in proton and carbon ion therapy will also be presented. Finally, relevant biology research and areas of research needs will be highlighted, including the dependence of RBE on genetic factors including status of DNA repair pathways, the sensitivity of cancer stem-like cells to charged particles, the role of charged particles in hypoxic tumors, and the importance of fractionation effects. In addition to the physical advantages of protons and more massive ions over photons, the future application of biologically optimized treatment plans and their potential to provide higher levels of local tumor control and improved normal tissue sparing will be discussed. Learning Objectives: To assess whether the current practice of a constant RBE of 1.1 should be revised or maintained in proton therapy and to evaluate the potential clinical consequences of delivering RBE-weighted dose distributions based on variable RBE To review current research on biological models used to predict the increased biological effectiveness of proton and carbon ions to help move towards a practical understanding and implementation of biological optimization in particle therapy To discuss potential differences in biological mechanisms between photons and charged particles (light and heavy ions) that could impact clinical cancer therapy H. Paganetti, NCI U19 CA21239D. Grosshans, Our research is supported by the NCIK. Held, Funding Support: National Cancer Institute of the National Institutes of Health, USA, under Award Number R21CA182259 and Federal Share of Program Income Earned by Massachusetts General Hospital on C06CA059267, Proton Therapy Research and Treatment Center.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

WE-FG-BRB-04: RBEs for Human Lung Cancer Cells Exposed to Protons and Heavier Ions: Implications for Clinical Use of Charged Particles in Cancer Therapy

The physical pattern of energy deposition and the enhanced relative biological effectiveness (RBE) of protons and carbon ions compared to photons offer unique and not fully understood or exploited opportunities to improve the efficacy of radiation therapy. Variations in RBE within a pristine or spread out Bragg peak and between particle types may be exploited to enhance cell killing in target regions without a corresponding increase in damage to normal tissue structures. In addition, the decreased sensitivity of hypoxic tumors to photon-based therapies may be partially overcome through the use of more densely ionizing radiations. These and other differences between particle and photon beams may be used to generate biologically optimized treatments that reduce normal tissue complications. In this symposium, speakers will examine the impact of the RBE of charged particles on measurable biological endpoints, treatment plan optimization, and the prediction or retrospective assessment of treatment outcomes. In particular, an AAPM task group was formed to critically examine the evidence for a spatially-variant RBE in proton therapy. Current knowledge of proton RBE variation with respect to dose, biological endpoint, and physics parameters will be reviewed. Further, the clinical relevance of these variations will be discussed. Recent work focused on improving simulations of radiation physics and biological response in proton and carbon ion therapy will also be presented. Finally, relevant biology research and areas of research needs will be highlighted, including the dependence of RBE on genetic factors including status of DNA repair pathways, the sensitivity of cancer stem-like cells to charged particles, the role of charged particles in hypoxic tumors, and the importance of fractionation effects. In addition to the physical advantages of protons and more massive ions over photons, the future application of biologically optimized treatment plans and their potential to provide higher levels of local tumor control and improved normal tissue sparing will be discussed. Learning Objectives: To assess whether the current practice of a constant RBE of 1.1 should be revised or maintained in proton therapy and to evaluate the potential clinical consequences of delivering RBE-weighted dose distributions based on variable RBE To review current research on biological models used to predict the increased biological effectiveness of proton and carbon ions to help move towards a practical understanding and implementation of biological optimization in particle therapy To discuss potential differences in biological mechanisms between photons and charged particles (light and heavy ions) that could impact clinical cancer therapy H. Paganetti, NCI U19 CA21239D. Grosshans, Our research is supported by the NCIK. Held, Funding Support: National Cancer Institute of the National Institutes of Health, USA, under Award Number R21CA182259 and Federal Share of Program Income Earned by Massachusetts General Hospital on C06CA059267, Proton Therapy Research and Treatment Center.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

WE-FG-BRB-00: The Challenges of Predicting RBE Effects in Particle Therapy and Opportunities for Improving Cancer Therapy

The physical pattern of energy deposition and the enhanced relative biological effectiveness (RBE) of protons and carbon ions compared to photons offer unique and not fully understood or exploited opportunities to improve the efficacy of radiation therapy. Variations in RBE within a pristine or spread out Bragg peak and between particle types may be exploited to enhance cell killing in target regions without a corresponding increase in damage to normal tissue structures. In addition, the decreased sensitivity of hypoxic tumors to photon-based therapies may be partially overcome through the use of more densely ionizing radiations. These and other differences between particle and photon beams may be used to generate biologically optimized treatments that reduce normal tissue complications. In this symposium, speakers will examine the impact of the RBE of charged particles on measurable biological endpoints, treatment plan optimization, and the prediction or retrospective assessment of treatment outcomes. In particular, an AAPM task group was formed to critically examine the evidence for a spatially-variant RBE in proton therapy. Current knowledge of proton RBE variation with respect to dose, biological endpoint, and physics parameters will be reviewed. Further, the clinical relevance of these variations will be discussed. Recent work focused on improving simulations of radiation physics and biological response in proton and carbon ion therapy will also be presented. Finally, relevant biology research and areas of research needs will be highlighted, including the dependence of RBE on genetic factors including status of DNA repair pathways, the sensitivity of cancer stem-like cells to charged particles, the role of charged particles in hypoxic tumors, and the importance of fractionation effects. In addition to the physical advantages of protons and more massive ions over photons, the future application of biologically optimized treatment plans and their potential to provide higher levels of local tumor control and improved normal tissue sparing will be discussed. Learning Objectives: To assess whether the current practice of a constant RBE of 1.1 should be revised or maintained in proton therapy and to evaluate the potential clinical consequences of delivering RBE-weighted dose distributions based on variable RBE To review current research on biological models used to predict the increased biological effectiveness of proton and carbon ions to help move towards a practical understanding and implementation of biological optimization in particle therapy To discuss potential differences in biological mechanisms between photons and charged particles (light and heavy ions) that could impact clinical cancer therapy H. Paganetti, NCI U19 CA21239D. Grosshans, Our research is supported by the NCIK. Held, Funding Support: National Cancer Institute of the National Institutes of Health, USA, under Award Number R21CA182259 and Federal Share of Program Income Earned by Massachusetts General Hospital on C06CA059267, Proton Therapy Research and Treatment Center.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

WE-FG-BRB-01: Clinical Significance of RBE Variations in Proton Therapy

The physical pattern of energy deposition and the enhanced relative biological effectiveness (RBE) of protons and carbon ions compared to photons offer unique and not fully understood or exploited opportunities to improve the efficacy of radiation therapy. Variations in RBE within a pristine or spread out Bragg peak and between particle types may be exploited to enhance cell killing in target regions without a corresponding increase in damage to normal tissue structures. In addition, the decreased sensitivity of hypoxic tumors to photon-based therapies may be partially overcome through the use of more densely ionizing radiations. These and other differences between particle and photon beams may be used to generate biologically optimized treatments that reduce normal tissue complications. In this symposium, speakers will examine the impact of the RBE of charged particles on measurable biological endpoints, treatment plan optimization, and the prediction or retrospective assessment of treatment outcomes. In particular, an AAPM task group was formed to critically examine the evidence for a spatially-variant RBE in proton therapy. Current knowledge of proton RBE variation with respect to dose, biological endpoint, and physics parameters will be reviewed. Further, the clinical relevance of these variations will be discussed. Recent work focused on improving simulations of radiation physics and biological response in proton and carbon ion therapy will also be presented. Finally, relevant biology research and areas of research needs will be highlighted, including the dependence of RBE on genetic factors including status of DNA repair pathways, the sensitivity of cancer stem-like cells to charged particles, the role of charged particles in hypoxic tumors, and the importance of fractionation effects. In addition to the physical advantages of protons and more massive ions over photons, the future application of biologically optimized treatment plans and their potential to provide higher levels of local tumor control and improved normal tissue sparing will be discussed. Learning Objectives: To assess whether the current practice of a constant RBE of 1.1 should be revised or maintained in proton therapy and to evaluate the potential clinical consequences of delivering RBE-weighted dose distributions based on variable RBE To review current research on biological models used to predict the increased biological effectiveness of proton and carbon ions to help move towards a practical understanding and implementation of biological optimization in particle therapy To discuss potential differences in biological mechanisms between photons and charged particles (light and heavy ions) that could impact clinical cancer therapy H. Paganetti, NCI U19 CA21239D. Grosshans, Our research is supported by the NCIK. Held, Funding Support: National Cancer Institute of the National Institutes of Health, USA, under Award Number R21CA182259 and Federal Share of Program Income Earned by Massachusetts General Hospital on C06CA059267, Proton Therapy Research and Treatment Center.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2023

pnnl/mlxrd

A multi-task neural network for the simultaneous identification of multiple compounds from XRD data obtained in a synchrotron-based hydrothermal fluid system. To enhance the alignment between the training and test datasets, random noise is introduced into the synthetic training dataset, and minor labeled experimental data is incorporated. Additionally, we employ a weighted cross-entropy loss function to address data imbalances and ensure smoother model training.

Li, Ang↗

DOE OSTI2021

PHOENIX Electrostatic Design

PHOENIX (Portable, High-efficiency, Optimal ENergy Imaging X-rays) is a quasi-DC, electrostatic, vacuum-diode designed as a portable x-ray source with national defense and commercial applications. The patent-pending PHOENIX concept combines a megavoltage, Cockroft-Walton voltage multiplier with a Van de-Graaff electrostatic charge-storage dome to create a vacuum-diode suitable for x-ray production. Naturally this structure must minimize internal electric fields to reduce electrical breakdown while simultaneously reducing size and weight to enhance portability. In this paper we describe the optimization process and model results obtained using the COMSOL multi-physics code. We describe three models: a prototype model built to demonstrate the PHOENIX concept as part of Laboratory Directed Research and Development (LDRD) Mission Foundation Research (MFR) Phase-I , a “back-of-the-envelope” design used as a starting point for further COMSOL optimization, and finally, the optimized geometry implemented in the MFR Phase-II. In all cases compromises resulting from cost, schedule, and manufacturing constraints were taken into account as the design progressed.

42 ENGINEERING↗

NASA NTRS1972

Task 2: Flight prototype system design report, pulsed plasma solid propellant microthruster for the Synchronous Meteorological Satellite

Design details are presented of the solid propellant pulsed plasma microthruster which was analyzed during the Task 1 effort. The design details presented show that the inherent functional simplicity underlying the flight proven LES-6 design can be maintained in the SMS systems design even with minimum weight constraints imposed. A 1293 hour uninterrupted vacuum test with the engineering thermal model, simulating an 18.8 to 33 g environment of the propellant, its feed system and electrode assembly, revealed that program thruster performance requirements could be met. This latter g environment is a more severe environment than will be ever encountered in the SMS spacecraft.

Guman, W. J.↗