Results for “Group Processes” — Page 66

DOE OSTI2018

Boundaries without boundaries

Starting with a quantum particle on a closed manifold without boundary, we consider the process of generating boundaries by modding out by a group action with fixed points, and we study the emergent quantum dynamics on the quotient manifold. As an illustrative example, we consider a free nonrelativistic quantum particle on the circle and generate the interval via parity reduction. A free particle with Neumann and Dirichlet boundary conditions on the interval is obtained, and, by changing the metric near the boundary, Robin boundary conditions can also be accommodated. We also indicate a possible method of generating non-local boundary conditions. Then, we explore an alternative generation mechanism which makes use of a folding procedure and is applicable to a generic Hamiltonian through the emergence of an ancillary spin degree of freedom.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Complete doping in solid-state by silica-supported perchloric acid as dopant solid acid: Synthesis and characterization of the novel chiral composite of poly [(±)-2-(sec-butyl) aniline]

Poly [(±)-2-(sec-butyl) aniline]/silica-supported perchloric acid composites were synthesized by combination of poly[(±)-2-sec-butylaniline] base (PSBA) and the silica-supported perchloric acid (SSPA) as dopant solid acid in solid-state. The X-ray photoelectron spectroscopy (XPS) and CHNS results confirm nigraniline oxidation state and complete doping for composites (about 75%) and non-complete for the PSBA·HCl salt (about 49%). The conductivity of samples was (≈0.07 S/cm) in agreement with the percent of doping obtained of the XPS analysis. Also, contact resistance was determined by circular-TLM measurement. The morphology of samples by the scanning electron microscopy (SEM) and their coating were investigated by XPS, SEM-map and energy-dispersive X-ray spectroscopy (EDX). The key benefits of this work are the preparation of conductive chiral composite with the delocalized polaron structure under green chemistry and solid-state condition, the improvement of the processability by inclusion of the 2-sec-butyl group and the use of dopant solid acid (SSPA) as dopant. - Highlights: • The solid-state synthesis of the novel chiral composites of poly[(±)-2-(sec-butyl)aniline] (PSBA) and silica-supported perchloric acid (SSPA). • It takes 120 h for complete deprotonation of PSBA.HCl salt. • Use of SSPA as dopant solid acid for the first time to attain the complete doping of PSBA. • The coating of silica surface with PSBA.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

miR-92a family and their target genes in tumorigenesis and metastasis

The miR-92a family, including miR-25, miR-92a-1, miR-92a-2 and miR-363, arises from three different paralog clusters miR-17-92, miR-106a-363, and miR-106b-25 that are highly conservative in the process of evolution, and it was thought as a group of microRNAs (miRNAs) correlated with endothelial cells. Aberrant expression of miR-92a family was detected in multiple cancers, and the disturbance of miR-92a family was related with tumorigenesis and tumor development. In this review, the progress on the relationship between miR-92a family and their target genes and malignant tumors will be summarized. - Highlights: • Aberrant expression of miR-92a, miR-25 and miR-363 can be observed in many kinds of malignant tumors. • The expression of miR-92a family is regulated by LOH, epigenetic alteration, transcriptional factors such as SP1, MYC, E2F, wild-type p53 etc. • Roles of miR-92a family in tumorigenesis and development: promoting cell proliferation, invasion and metastasis, inhibiting cell apoptosis.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2019

Closed Loop Recycling of Electric Vehicle Batteries to Enable Ultra-high Quality Cathode Powder

The lithium-ion battery (LIB) recycling market is becoming increasingly important because of the widespread use of LIBs in every aspect of our lives. Mobile devices and electric cars represent the largest application areas for LIBs. Vigorous innovation in these sectors is spurring continuous deployment of LIB powered devices, and consequently more and more LIBs will become waste as they approach end of life. Considering the significant economic and environmental impacts, recycling is not only necessary, but also urgent. The WPI group has successfully developed a closed-loop recycling process, and has previously demonstrated it on a relatively small scale 1 kg spent batteries per experiment. Here, we show that the closed-loop recycling process can be successfully scaled up to 30 kg of spent LIBs from electric vehicle recycling streams, and the recovered cathode powder shows similar (or better) performance to equivalent commercial powder when evaluated in both coin cells and single layer pouch cells. All of these results demonstrate the closed-loop recycling process has great adaptability and can be further developed into industrial scale.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Solubility-limited depolymerization kinetics in the glycolysis of carbonyl-containing polymers

Chemical recycling of condensation polymers is often rationalized on the basis of the intrinsic reactivity of ester and carbonate functional groups. However, under heterogeneous conditions relevant to plastic waste processing and environmental degradation, bulk depolymerization rates often diverge from trends predicted by homogeneous chemistry. Here, we investigate how polymer–solvent compatibility, catalyst strength, and phase behavior govern the heterogeneous glycolysis of carbonyl-containing polymers. Using poly(ethylene terephthalate) (PET), glycol-modified PET (PETG), and bisphenol-A polycarbonate (PC) as model systems, we examine depolymerization kinetics at 180 °C with ethylene glycol and bisphenol A as diols under both amphoteric organosalt (TBD : MSA) and strong base (TBD) catalysis. Despite substantial differences in crystallinity and glycol uptake, PET and PETG depolymerize at comparable rates under organosalt catalysis, while PC depolymerizes significantly more slowly under identical conditions. Time-resolved molecular weight analysis and thermal characterization demonstrate that these rate differences do not arise from crystallinity, swelling, or inherent carbonyl reactivity, but instead reflect solubility-limited kinetics that constrain the transition from heterogeneous to homogeneous reaction regimes. When polymer solubility is low, depolymerization remains heterogeneous and slow; when solubility is enhanced—either through increased polymer–diol compatibility or stronger base catalysis—rapid homogeneous depolymerization is observed, reversing apparent reactivity trends. These results establish solubility and phase behavior as primary determinants of depolymerization kinetics in heterogeneous polymer recycling systems. By demonstrating how catalyst selection and solvent compatibility can expose or overcome solubility limitations, this work provides mechanistic insight to design more energy-efficient and selective chemical recycling processes. More broadly, these findings suggest that polymers with limited solvent or water compatibility may resist chemical degradation in the environment, favoring fragmentation and persistence as micro- and nanoplastics. Understanding solubility-controlled depolymerization offers a pathway toward more sustainable polymer design and end-of-life chemical recovery.

Watson-Sanders, Shelby [Department of Chemistry, U↗

DOE OSTI2015

Experimental characterization of quantum correlated triple beams generated by cascaded four-wave mixing processes

Quantum correlations and entanglement shared among multiple modes are fundamental ingredients of most continuous-variable quantum technologies. Recently, a method used to generate multiple quantum correlated beams using cascaded four-wave mixing (FWM) processes was theoretically proposed and experimentally realized by our group [Z. Qin et al., Phys. Rev. Lett. 113, 023602 (2014)]. Our study of triple-beam quantum correlation paves the way to showing the tripartite entanglement in our system. Our system also promises to find applications in quantum information and precision measurement such as the controlled quantum communications, the generation of multiple quantum correlated images, and the realization of a multiport nonlinear interferometer. For its applications, the degree of quantum correlation is a crucial figure of merit. In this letter, we experimentally study how various parameters, such as the cell temperatures, one-photon, and two-photon detunings, influence the degree of quantum correlation between the triple beams generated from the cascaded two-FWM configuration.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Electron transmission through a class of anthracene aldehyde molecules

Transmission of electrons via metal-molecule-metal junctions, involving rotor-stator anthracene aldehyde molecules is investigated. Two model barriers having input parameters evaluated from accurate ab initio calculations are proposed and the transmission coefficients are obtained by using the quasiclassical approximation. Transmission coefficients further enter in the integral for the net current, utilizing Simmons’ method. Conformational dependence of the tunneling processes is evident and the presence of the side groups enhances the functionality of the future single-molecule based electronic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Conformational changes in matrix-isolated 6-methoxyindole: Effects of the thermal and infrared light excitations

Conformational changes induced thermally or upon infrared excitation of matrix-isolated 6-methoxyindole were investigated. Narrowband near-infrared excitation of the first overtone of the N–H stretching vibration of each one of the two identified conformers is found to induce a selective large-scale conversion of the pumped conformer into the other one. This easily controllable bidirectional process consists in the intramolecular reorientation of the methoxy group and allowed a full assignment of the infrared spectra of the two conformers. Matrices with different conformational compositions prepared by narrow-band irradiations were subsequently used to investigate the effects of both thermal and broadband infrared excitations on the conformational mixtures. Particular attention is given to the influence of the matrix medium (Ar vs. Xe) and conformational effects of exposition of the sample to the spectrometer light source during the measurements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2013

Evolution of a wave packet scattered by a one-dimensional potential

We consider the evolution of a wave packet that is made up of a group of the wave functions describing the stationary scattering process and tunnels through a one-dimensional potential of arbitrary form. As the main characteristics of the time difference of the tunnelling process, use is made of the propagation speed of the wave-packet maximum. We show that the known Hartman formula for the tunnelling time corresponds to the wave packet with a wavenumber-uniform spectral composition in the case, when the phase and transmission coefficient modulus dispersions are taken into account only in the linear approximation. The amplitude of the main peak of the transmitted wave intensity is proven to be independent of the tunnelling time and is determined by the transmission coefficient of the spectral component at the carrier frequency and the spectral width of the wave packet. In the limit of an infinitely wide potential barrier the amplitude of the wave-packet maximum is shown to tend to zero slower than the tunnelling time tends to its asymptotic value, i.e., indeed we deal with the paradox of an infinitely large propagation speed of a wave disturbance through the barrier. (propagation of wave fronts)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2024

A spatially resolved spectral analysis of giant radio galaxies with MeerKAT

ABSTRACT In this study we report the spatially resolved, wideband spectral properties of three giant radio galaxies (GRGs) in the COSMOS field: MGTC J095959.63+024608.6, MGTC J100016.84+015133.0, and MGTC J100022.85+031520.4. One of these galaxies, MGTC J100022.85+031520.4, is reported here for the first time, with a projected linear size of 1.29 Mpc at a redshift of 0.1034. Unlike the other two, it is associated with a brightest cluster galaxy (BCG), making it one of the few GRGs known to inhabit cluster environments. We examine the spectral age distributions of the three GRGs using new MeerKAT UHF-band (544–1088 MHz) observations, and L-band (900–1670 MHz) data from the MeerKAT International GHz Tiered Extragalactic Exploration (MIGHTEE) survey. We test two models of spectral ageing, the Jaffe–Perola and Tribble models, using the Broadband Radio Astronomy Tools (brats) software, and find that they agree well with each other. We estimate the Tribble spectral age for MGTC J095959.63+024608.6 as 68 Myr, for MGTC J100016.84+015133.0 as 47 Myr, and for MGTC J100022.85+031520.4 as 67 Myr. We find significant disagreements between these spectral age estimates and the estimates of the dynamical ages of these GRGs, modelled in cluster and group environments. Our results highlight the need for additional processes that are not accounted for in either the dynamic age or the spectral age estimations.

Charlton, K. K. L. (ORCID:0000000229252047)↗

DOE OSTI2025

Nuclear Waste Tank Emission Contributions to Particle Size Distribution

Pollutants from anthropogenic activities including industrial processes are ubiquitous to the environment. To understand the impact from industrial aerosol on climate and human health, industrial aerosol needs to be better characterized. Here, in this study, particle number concentrations were used as a proxy for atmospheric pollutants, which include both particles and gases. Particle concentration and size distribution were measured using a scanning mobility particle sizer (SMPS) approximately 4.5 km from primary industrial areas at the Savannah River Site in Aiken, SC. Industrial areas include numerous nuclear waste storage and processing tanks. The SMPS data were divided into two groups depending on the wind direction measured onsite to categorize transport from the industrial area or from elsewhere. Industrial contributions were found to have a higher concentration of particles with sizes less than 200 nm, 859 ± 564 cm -3 , in comparison to non-industrial attributed particles, 733 ± 495 cm -3 on average from March-July 2021. For sizes larger than 200 nm, industrial and non-industrial particles have a similar concentration, 89 ± 59 cm -3 and 99 ± 61 cm -3 , with non-industrial concentrations being slightly larger. To confirm that industrial particles could travel to the sampling location, air dispersion modeling was completed for specific case studies during the sampling period. The atmospheric dispersion modeling results confirmed that particles released at the industrial areas reached the sampling location when the wind direction was favorable for transport from the industrial areas. The greater concentration of smaller-sized particles in industrial emissions has implications for typical particulate measurements (PM2.5), heath impacts, and climatological influences.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2015

Seeding for sirtuins: microseed matrix seeding to obtain crystals of human Sirt3 and Sirt2 suitable for soaking

In the present study, microseed matrix seeding was successfully applied to obtain a large number of crystals of the human sirtuin isotypes Sirt2 and Sirt3. These crystals appeared predictably in diverse crystallization conditions, diffracted to a higher resolution than reported in the literature and were subsequently used to study the protein–ligand interactions of two indole inhibitors. Sirtuins constitute a family of NAD{sup +}-dependent enzymes that catalyse the cleavage of various acyl groups from the ∊-amino group of lysines. They regulate a series of cellular processes and their misregulation has been implicated in various diseases, making sirtuins attractive drug targets. To date, only a few sirtuin modulators have been reported that are suitable for cellular research and their development has been hampered by a lack of structural information. In this work, microseed matrix seeding (MMS) was used to obtain crystals of human Sirt3 in its apo form and of human Sirt2 in complex with ADP ribose (ADPR). Crystal formation using MMS was predictable, less error-prone and yielded a higher number of crystals per drop than using conventional crystallization screening methods. The crystals were used to solve the crystal structures of apo Sirt3 and of Sirt2 in complex with ADPR at an improved resolution, as well as the crystal structures of Sirt2 in complex with ADPR and the indoles EX527 and CHIC35. These Sirt2–ADPR–indole complexes unexpectedly contain two indole molecules and provide novel insights into selective Sirt2 inhibition. The MMS approach for Sirt2 and Sirt3 may be used as the basis for structure-based optimization of Sirt2/3 inhibitors in the future.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2016

WE-G-BRC-00: Experiences with TG100 in Clinical Use

Failure Mode and Effects Analysis (FMEA) originated as an industrial engineering technique used for risk management and safety improvement of complex processes. In the context of radiotherapy, the AAPM Task Group 100 advocates FMEA as the framework of choice for establishing clinical quality management protocols. However, there is concern that widespread adoption of FMEA in radiation oncology will be hampered by the perception that implementation of the tool will have a steep learning curve, be extremely time consuming and labor intensive, and require additional resources. To overcome these preconceptions and facilitate the introduction of the tool into clinical practice, the medical physics community must be educated in the use of this tool and the ease in which it can be implemented. Organizations with experience in FMEA should share their knowledge with others in order to increase the implementation, effectiveness and productivity of the tool. This session will include a brief, general introduction to FMEA followed by a focus on practical aspects of implementing FMEA for specific clinical procedures including HDR brachytherapy, physics plan review and radiosurgery. A description of common equipment and devices used in these procedures and how to characterize new devices for safe use in patient treatments will be presented. This will be followed by a discussion of how to customize FMEA techniques and templates to one’s own clinic. Finally, cases of common failure modes for specific procedures (described previously) will be shown and recommended intervention methodologies and outcomes reviewed. Learning Objectives: Understand the general concept of failure mode and effect analysis Learn how to characterize new equipment for safety Be able to identify potential failure modes for specific procedures and learn mitigation techniques Be able to customize FMEA examples and templates for use in any clinic.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

WE-G-BRC-01: Risk Assessment for Radiosurgery

Failure Mode and Effects Analysis (FMEA) originated as an industrial engineering technique used for risk management and safety improvement of complex processes. In the context of radiotherapy, the AAPM Task Group 100 advocates FMEA as the framework of choice for establishing clinical quality management protocols. However, there is concern that widespread adoption of FMEA in radiation oncology will be hampered by the perception that implementation of the tool will have a steep learning curve, be extremely time consuming and labor intensive, and require additional resources. To overcome these preconceptions and facilitate the introduction of the tool into clinical practice, the medical physics community must be educated in the use of this tool and the ease in which it can be implemented. Organizations with experience in FMEA should share their knowledge with others in order to increase the implementation, effectiveness and productivity of the tool. This session will include a brief, general introduction to FMEA followed by a focus on practical aspects of implementing FMEA for specific clinical procedures including HDR brachytherapy, physics plan review and radiosurgery. A description of common equipment and devices used in these procedures and how to characterize new devices for safe use in patient treatments will be presented. This will be followed by a discussion of how to customize FMEA techniques and templates to one’s own clinic. Finally, cases of common failure modes for specific procedures (described previously) will be shown and recommended intervention methodologies and outcomes reviewed. Learning Objectives: Understand the general concept of failure mode and effect analysis Learn how to characterize new equipment for safety Be able to identify potential failure modes for specific procedures and learn mitigation techniques Be able to customize FMEA examples and templates for use in any clinic.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

WE-G-BRC-02: Risk Assessment for HDR Brachytherapy

Failure Mode and Effects Analysis (FMEA) originated as an industrial engineering technique used for risk management and safety improvement of complex processes. In the context of radiotherapy, the AAPM Task Group 100 advocates FMEA as the framework of choice for establishing clinical quality management protocols. However, there is concern that widespread adoption of FMEA in radiation oncology will be hampered by the perception that implementation of the tool will have a steep learning curve, be extremely time consuming and labor intensive, and require additional resources. To overcome these preconceptions and facilitate the introduction of the tool into clinical practice, the medical physics community must be educated in the use of this tool and the ease in which it can be implemented. Organizations with experience in FMEA should share their knowledge with others in order to increase the implementation, effectiveness and productivity of the tool. This session will include a brief, general introduction to FMEA followed by a focus on practical aspects of implementing FMEA for specific clinical procedures including HDR brachytherapy, physics plan review and radiosurgery. A description of common equipment and devices used in these procedures and how to characterize new devices for safe use in patient treatments will be presented. This will be followed by a discussion of how to customize FMEA techniques and templates to one’s own clinic. Finally, cases of common failure modes for specific procedures (described previously) will be shown and recommended intervention methodologies and outcomes reviewed. Learning Objectives: Understand the general concept of failure mode and effect analysis Learn how to characterize new equipment for safety Be able to identify potential failure modes for specific procedures and learn mitigation techniques Be able to customize FMEA examples and templates for use in any clinic.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

WE-G-BRC-03: Risk Assessment for Physics Plan Review

Failure Mode and Effects Analysis (FMEA) originated as an industrial engineering technique used for risk management and safety improvement of complex processes. In the context of radiotherapy, the AAPM Task Group 100 advocates FMEA as the framework of choice for establishing clinical quality management protocols. However, there is concern that widespread adoption of FMEA in radiation oncology will be hampered by the perception that implementation of the tool will have a steep learning curve, be extremely time consuming and labor intensive, and require additional resources. To overcome these preconceptions and facilitate the introduction of the tool into clinical practice, the medical physics community must be educated in the use of this tool and the ease in which it can be implemented. Organizations with experience in FMEA should share their knowledge with others in order to increase the implementation, effectiveness and productivity of the tool. This session will include a brief, general introduction to FMEA followed by a focus on practical aspects of implementing FMEA for specific clinical procedures including HDR brachytherapy, physics plan review and radiosurgery. A description of common equipment and devices used in these procedures and how to characterize new devices for safe use in patient treatments will be presented. This will be followed by a discussion of how to customize FMEA techniques and templates to one’s own clinic. Finally, cases of common failure modes for specific procedures (described previously) will be shown and recommended intervention methodologies and outcomes reviewed. Learning Objectives: Understand the general concept of failure mode and effect analysis Learn how to characterize new equipment for safety Be able to identify potential failure modes for specific procedures and learn mitigation techniques Be able to customize FMEA examples and templates for use in any clinic.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2021

Heating events in the nascent solar system recorded by rare earth element isotopic fractionation in refractory inclusions

Equilibrium condensation of solar gas is often invoked to explain the abundance of refractory elements in planets and meteorites. This is partly motivated, by the observation that the depletions in both the least and most refractory rare earth elements (REEs) in meteoritic group II calcium-aluminum–rich inclusions (CAIs) can be reproduced by thermodynamic models of solar nebula condensation. We measured the isotopic compositions of Ce, Nd, Sm, Eu, Gd, Dy, Er, and Yb in eight CAIs to test this scenario. Contrary to expectation for equilibrium condensation, we find light isotope enrichment for the most refractory REEs and more subdued isotopic variations for the least refractory REEs. This suggests that group II CAIs formed by a two-stage process involving fast evaporation of preexisting materials, followed by near-equilibrium recondensation. The calculated time scales are consistent with heating in events akin to FU Orionis– or EX Lupi–type outbursts of eruptive pre–main-sequence stars.

58 GEOSCIENCES↗

DOE OSTI2024

Spiking Markov Reward Process v.0.1

SAND2024-11150O The Spiking Markov Reward Process software is a spiking neural network that streams binary arithmetic and computes the state value function of a Markov reward process. The software will be released to the SpiNNcloud group for development of neuromorphic acceleration. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Wang, Felix↗