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

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Contrasting student and staff perceptions of preclinical‐to‐clinical transition at a Chilean dental school

Abstract Introduction Dental education is a challenging and demanding field of study as students are expected to acquire various competencies to fulfil their professional requirements after graduation. The objective of this study was to investigate and compare dental students' and clinical staff instructors' perceptions of the preclinical‐to‐clinical transition training at a Dental School in Santiago, Chile. Material and Methods Two questionnaires containing 11 quantitative and one qualitative item were developed to assess our year three, four and five ( n = 244) dental undergraduate students' challenges when they begin treating patients, and clinical staff ( n = 78) perceptions of the preparedness to treat patients of the same students. Both questionnaires were voluntarily and anonymously implemented eight weeks after the beginning of the 2019 academic year. Responses were analysed using a Chi‐squared test for each quantitative question, while qualitative comments were studied to form themes and dimensions. RESULTS A total of 234 (96%) students and 60 (77%) instructors completed their respective questionnaire. There were considerable variations between students in the different years of the programme, as well as between students and staff members. Students and instructors felt the former had enough knowledge to treat patients though it was difficult for them to apply it in clinical practice. Again, both believed they could communicate with patients, but third year students asked for more training on this. Regarding practical skills, fourth‐ and fifth‐year students felt prepared but not third year students, who preferred to work in pairs with senior students, a preference that was shared by the instructors. All student groups asked clinical staff to provide more frequent, constructive and consistent feedback and felt that the difference between simulation and clinical environments and the amount of clinical work to fulfil clinical requirements made them feel stressed. Another mentioned stressor was students' low self‐confidence when working with patients. Among the requested improvements, students requested better training on how the dental clinic works to save time. Conclusions Preclinical‐to‐clinical transition training presents several challenges. Some of the problems highlighted by both students and clinical staff members persisted with the transition after three, four and even five years of training, which needs to be addressed.

Tricio, Jorge↗
DOE OSTI2024

High‐Resolution Direct Push NMR Tools for Groundwater Investigations

Abstract A small‐diameter nuclear magnetic resonance (NMR) technology optimized for use with direct push (DP) and cone penetrometer test (CPT) drilling has been developed. The DP NMR tool can be deployed through 2.25‐in. diameter DP and CPT drilling rods allowing high‐resolution NMR logging measurements to be acquired during retraction of drill rods. DP NMR technology runs from a person‐portable battery‐powered control unit and provides significantly higher resolution in both the spatial (vertical) dimension and in the time domain of the NMR measurement than previously available NMR technology. In this study, we summarize the development of two different DP NMR tools and demonstrate their application at different sites within the United States. We believe that this technology can provide a leap forward in adoption of NMR technology for high‐resolution hydrological and geophysical investigations in groundwater resources and environmental remediation applications.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Evolution of Pore Structure and Permeability of Rocks Under Hydrothermal Conditions (Final Report)

The physical and transport properties of porous rocks can be altered by a variety of diagenetic, metamorphic, and tectonic processes, and the changes that result are of critical importance to such industrial applications as resource recovery, carbon dioxide sequestration, and waste isolation in geologic formations. The associated interrelationships between rocks, pore fluids and deformation are also key to understanding many natural processes, including dynamic metamorphism, fault mechanics, fault stability and pressure solution creep. In this project, we investigated the changes of permeability and pore geometry owing to inelastic deformation by solution-transfer, brittle fracturing and dislocation creep. In particular, we studied the coupling between pore fluids and deformation in fluid-filled quartz, calcite, mudstones and ultramafic rocks and examine the effects of coupled mechanical and chemical processes on the evolution of porosity and permeability under hydrothermal conditions. The investigations used a combination of techniques, that included triaxial laboratory experiments; uniaxial compressive loading with in situ observations of microstructure; permeability under hydrostatic compression; observations of microstructure using optical and electron microscopes, and micro-CT imaging; and numerical calculations. Laboratory experiments were designed to provide mechanical and transport data under conditions that isolate the particular mechanisms responsible for the changes. The data obtained were used to quantify changes in surface roughness, porosity, pore dimensions and their spatial fluctuations. The results of the experiments and data from image analyses were compared to the results of network, finite-difference and other numerical models to verify the validity of experimentally established relations between permeability and other rock properties. A bibliography for the period from 2015-2019 is appended below. New results obtained in the final year and the unfunded extension period are detailed below.

58 GEOSCIENCES↗
DOE OSTI2022

Three-dimensional simulations of reshocked inclined Richtmyer-Meshkov instability: Effects of initial perturbations

The effect of initial perturbations on the evolution of the inclined Richtmyer-Meshkov turbulent mixing layer before and after reshock initiated by a shock wave with Mach number 1.55 is investigated through three-dimensional (3D) simulations using the flash code. The 3D simulations aim to reproduce both predominantly single-mode and multimode interfaces between light and heavy gases (N 2 -CO 2 , Atwood number, A≈0.22; amplitude to wavelength ratio of 0.088) which were created in an inclined shock tube facility to analyze the effects of initial conditions on mixing development in the entire flow field. The two-dimensional center slices of 3D simulations are compared with the experimental results to validate the computational code. Mixing width, mixed mass, mixed-mass thickness, and circulation in addition to concentration fields are shown to be in good agreement with the experimental data. The three-dimensional density and vorticity fields are first presented to qualitatively describe the flow behavior before and after reshock. Several measured density/velocity-related quantities indicate that the growth of the mixing material is strongly dependent on initial conditions. Before reshock and at early times after reshock, flow is clearly maintaining the memory of initial perturbations. However, at late time after reshock, although the large wavelength feature still dominates the flow motion, and the morphology of the two different interfaces indicates several differences, by breakdown of large-scale coherent structures to much finer scales, the memory of small scales of the multimode initial perturbation is not as clear as pre-reshock. Regarding three-dimensionality of the flow, before reshock in the multimode case, the baroclinic vorticity production, circulation, turbulent kinetic energy, and turbulent mass flux suggest that the small-scale roll-up features along the large inclined wavelength quickly evolves in all three dimensions. The coherent vortex tubes break down to smaller wormlike vortex structures, and turbulent fluctuations in the out-of-plane dimension are comparable to the spanwise direction. After reshock, this three-dimensionality of mixing growth was observed in the flow for both initial conditions. The results of this work represent a significant extension of previous computational studies performed on this specific topic. A different code with a different numerical method is validated through comparison with the experimental data. The initial perturbations are directly measured from the experimental results. Moreover, the entire three-dimensional experimental shock tube domain is simulated, and more quantities are investigated to understand the mixing mechanism and instability evolution in all three dimensions.

42 ENGINEERING↗
DOE OSTI2022

SAXS-guided unbiased coarse-grained Monte Carlo simulation for identification of self-assembly nanostructures and dimensions

Recent studies have shown that solvated amphiphiles can form nanostructured self-assemblies called dynamic binary complexes (DBCs) in the presence of ions. Since the nanostructures of DBCs are directly related to their viscoelastic properties, it is important to understand how the nanostructures change under different solution conditions. However, it is challenging to obtain a three-dimensional molecular description of these nanostructures by utilizing conventional experimental characterization techniques or thermodynamic models. To this end, we combined the structural data from small angle X-ray scattering (SAXS) experiments and thermodynamic knowledge from coarse-grained Monte Carlo (CGMC) simulations to identify the detailed three-dimensional nanostructure of DBCs. Specifically, unbiased CGMC simulations are performed with SAXS-guided initial conditions, which aids us to sample accurate nanostructures in a computationally efficient fashion. As a result, an elliptical bilayer nanostructure is obtained as the most probable nanostructure of DBCs whose dimensions are validated by scanning electron microscope (SEM) images. Then, utilizing the obtained molecular model of DBCs, here we could also explain the pH tunability of the system. Overall, our results from SAXS-guided unbiased CGMC simulations highlight that using potential energy combined with SAXS data, we can distinguish otherwise degenerate nanostructures resulting from the inherent ambiguity of SAXS patterns.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Search for new physics in high-mass diphoton events from proton-proton collisions at $ \sqrt{\textrm{s}} $ = 13 TeV

Results are presented from a search for new physics in high-mass diphoton events from proton-proton collisions at $ \sqrt{s} $ = 13 TeV. The data set was collected in 2016–2018 with the CMS detector at the LHC and corresponds to an integrated luminosity of 138 fb$^{−1}$. Events with a diphoton invariant mass greater than 500 GeV are considered. Two different techniques are used to predict the standard model backgrounds: parametric fits to the smoothly-falling background and a first-principles calculation of the standard model diphoton spectrum at next-to-next-to-leading order in perturbative quantum chromodynamics calculations. The first technique is sensitive to resonant excesses while the second technique can identify broad differences in the invariant mass shape. The data are used to constrain the production of heavy Higgs bosons, Randall-Sundrum gravitons, the large extra dimensions model of Arkani-Hamed, Dimopoulos, and Dvali (ADD), and the continuum clockwork mechanism. No statistically significant excess is observed. The present results are the strongest limits to date on ADD extra dimensions and RS gravitons with a coupling parameter greater than 0.1.[graphic not available: see fulltext]

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

High temporal resolution generation expansion planning for the clean energy transition

As power systems integrate increasing quantities of wind, solar and energy storage resources, it is important to revisit power system capacity expansion modeling methods and assumptions that have been utilized in thermal- dominated systems. We conduct a series of case study analyses using a simplified representation of the Electric Reliability Council of Texas (ERCOT) system to demonstrate how least-cost capacity expansion outcomes are impacted by changes in model resolution across two temporal dimensions: 1) the number of considered representative periods, and 2) the system dispatch interval. First, we find that the least-cost generation portfolio can differ significantly for small changes in the number of representative days, but largely converges to the 365-day result once 104 representative days are considered. Furthermore, systems with wind, solar and storage resources were more sensitive to changes in the number of representative days than a thermal-dominated system. Second, we find that considering five-minute dispatch resolution consistently results in least-cost generation portfolios with less solar capacity and more energy storage capacity than corresponding scenarios with hourly dispatch intervals. This suggests that hourly dispatch representation fails to capture the intra-hour volatility of solar generation, and therefore also overlooks opportunities for storage resources to provide system value by balancing this volatility. Collectively these results indicate that capacity expansion modelers should revisit conventional approaches to temporal representation when conducting analyses of deeply decarbonized power systems to ensure that such analyses are robust and actionable. To our knowledge, this is the first study to analyze capacity expansion outcomes with five-minute dispatch resolution in this manner.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2024

Investigation of inter-subject variation in ultrafine particle deposition across human nasal airways: A study involving children, adults, and the elderly

Occupational and environmental exposure to toxic nanoparticles, driven by the rapid expansion of nanotechnology, raises significant respiratory health concern. Numerous studies have explored airflow and particle dynamics in adult nasal airways, but understanding the impact of age-related anatomical changes in children and the elderly remains limited. This study systematically investigates age-related anatomical variations and associated influence on nasal airflow dynamics and ultrafine particle deposition characteristics. Using Computational Fluid-Particle Dynamics (CFPD) method, simulation was conducted under diverse inhalation conditions spanning a wide age range, including: two children (5 years old), two young adults (in their twenties), and two elderly (over 77 years old). Our results reveal distinctive variations across age groups in anatomical dimensions, which affect distribution of wall shear stress where the elderly and children display unique patterns distinct from the young adults. While total deposition efficiency differs significantly between children and adults, filtration efficiency in the subregion with most deposition, main respiratory, remains consistent. However, inter-subject differences are observed in the vestibular and olfactory regions,emphasizing nuanced impact of age-related anatomical variations. Overall and subregional empirical equations for deposition efficiency were developed by incorporating the combined diffusion parameter, Sc a Δ b , corroborating the use of geometrical characteristic parameters for each specific subject in predicting nasal deposition efficiency across age groups. Our findings contribute to predictive nanoparticle exposure analysis in nasal airways across different age groups, thereby enhancing respiratory healthcare for individuals across the life span.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Ultrasparse View X-ray Computed Tomography for 4D Imaging

X-ray computed tomography (CT) is a noninvasive, nondestructive approach to imaging materials, material systems, and engineered components in two and three dimensions. Acquisition of three-dimensional (3D) images requires the collection of hundreds or thousands of through-thickness X-ray radiographic images from different angles. Such 3D data acquisition strategies commonly involve suboptimal temporal sampling for in situ and operando studies (4D imaging). Herein, we introduce a sparse-view imaging approach, Tomo-NeRF, which is capable of reconstructing high-fidelity 3D images from <10 twodimensional radiographic images. Experimental 2D and 3D X-ray images were used to test the reconstruction capability in two-view, four-view, and six-view scenarios. Tomo-NeRF is capable of reconstructing 3D images with a structural similarity of 0.9971–0.9975 and a voxel-wise accuracy of 81.83–89.59% from 2D experimentally obtained images. Furthermore, the reconstruction accuracy for the experimentally obtained images is less than the synthetic structures. Experimentally obtained images demonstrate a similarity of 0.9973–0.9984 and a voxelwise accuracy of 84.31–95.77%.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Fluctuations of subsystem entropies at late times

We study the fluctuations of subsystem entropies in closed quantum many-body systems after thermalization. Using a combination of analytics and numerics for both random quantum circuits and Hamiltonian dynamics, we find that the statistics of such entropy fluctuations is drastically different than in the classical setting. For instance, shortly after a system thermalizes, the probability of entropy fluctuations for a subregion is suppressed in the dimension of the Hilbert space of the complementary subregion. This suppression becomes increasingly stringent as a function of time, ultimately depending on the exponential of the Hilbert space dimension, until extremely late times when the amount of suppression saturates. We also use our results to estimate the total number of rare fluctuations at large timescales. We find that the “Boltzmann brain” paradox is largely ameliorated in quantum many-body systems, in contrast with the classical setting.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Optimizing Sensor Count and Placement to Detect Bond Wire Lift-Offs and Surface Defects in High-Power IGBT Modules Using Low-Cost Piezo-Electric Resonators

This manuscript presents the most recent results and findings to identify bond wire lift-offs and surface defects in high-power isolated gate bipolar junction transistor (IGBT) modules. The authors of this manuscript formerly proposed a low-cost, piezoelectric resonator-based measurement unit to detect bond wire related degradation in larger IGBT modules. Since high-power IGBT modules are expensive, it was apparent that evaluating our proposed method by inducing controlled damage to fresh (new) IGBTs may not be cost-effective especially when multiple sets of data need to be captured by inducing damage to different levels. In order to overcome this limitation, IGBT bond wires have been mimicked using a 3D printed enclosure, a PCB, and copper wires with dimensions very closely resembling a real IGBT. Using this method, multiple test devices can be built at the cost of a real IGBT, and the proposed technique could be fine-tuned without damaging expensive, real IGBTs. Our recent findings can be used to determine real IGBT degradation and bond wire lift-offs using only two sensors, as opposed to six transducers used in the first iteration of the setup. In addition to optimizing the sensor count, we have also identified the best possible locations of these sensors by attempting multiple placements inside the IGBT casing.

condition monitoring↗
DOE OSTI2019

A hierarchical approach for modeling X-ray beamlines: application to a coherent beamline

Herein, different approaches to simulate a modern X-ray beamline are considered. Several methodologies with increasing complexity are applied to discuss the relevant parameters that quantify the beamline performance. Parameters such as flux, dimensions and intensity distribution of the focused beam, and coherence properties are obtained from simple analytical calculations to sophisticated computer simulations using ray-tracing and wave optics techniques. A latest-generation X-ray nanofocusing beamline for coherent applications (ID16A at the ESRF) has been chosen to study in detail the issues related to highly demagnifying synchrotron sources and exploiting the beam coherence. The performance of the beamline is studied for two storage rings: the old ESRF-1 (emittance 4000 pm) and the new ESRF-EBS (emittance 150 pm). In addition to traditional results in terms of flux and beam sizes, an innovative study on the partial coherence properties based on the propagation of coherent modes is presented. The different algorithms and methodologies are implemented in the software suite OASYS . These are discussed with emphasis placed upon the their benefits and limitations of each.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

PT-symmetry entails pseudo-Hermiticity regardless of diagonalizability

We prove that in finite dimensions, a Parity-Time (PT)-symmetric Hamiltonian is necessarily pseudo-Hermitian regard-less of whether it is diagonalizable or not. This result is different from Mostafazadeh’s, which requires the Hamiltonian to be diagonalizable. PT-symmetry breaking often occurs at exceptional points where the Hamiltonian is not diagonalizable. Our result implies that PT-symmetry breaking is equivalent to the onset of instabilities of pseudo-Hermitian systems, which was systematically studied by Krein et al. in 1950s. In particular, we show that the mechanism of PT-symmetry breaking is the resonance between two eigen modes with opposite signs of actions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Block encoding of the three-dimensional heterogeneous Poisson equation with application to fracture flow

Quantum linear system (QLS) algorithms offer the potential to solve large-scale linear systems exponentially faster than classical methods. However, applying QLS algorithms to real-world problems remains challenging due to issues such as state preparation, data loading, and efficient information extraction. In this work, we study the feasibility of applying QLS algorithms to solve discretized three-dimensional (3D) heterogeneous Poisson equations, with specific examples relating to groundwater flow through geologic fracture networks. We explicitly construct a block encoding for the 3D heterogeneous Poisson matrix by leveraging the sparse local structure of the discretized operator. While classical solvers benefit from preconditioning, we show that block encoding the system matrix and preconditioner separately does not improve the effective condition number that dominates the QLS run-time. This differs from classical approaches where the preconditioner and the system matrix can often be implemented independently. Nevertheless, due to the structure of the problem in three dimensions, the quantum algorithm achieves a run-time of 𝑂⁡(𝑁 2/3 polylog 𝑁 ⋅log (1/𝜖)), outperforming the best classical methods (with run times of 𝑂⁡(𝑁⁢log 𝑁 ⋅log (1/𝜖))) and offering exponential memory savings. These results highlight both the promise and limitations of QLS algorithms for practical scientific computing, and point to effective condition-number reduction as a key barrier in achieving quantum advantages.

58 GEOSCIENCES↗
DOE OSTI2023

Real-time evolution of Anderson impurity models via tensor network influence functionals

In this work, we present and analyze two tensor network-based influence functional approaches for simulating the real-time dynamics of quantum impurity models such as the Anderson model. Via comparison with recent numerically exact simulations, we show that such methods accurately capture the long-time nonequilibrium quench dynamics. The two parameters that must be controlled in these tensor network influence functional approaches are a time discretization (Trotter) error and a bond dimension (tensor network truncation) error. We show that the actual numerical uncertainties are controlled by an intricate interplay of these two approximations, which we demonstrate in different regimes. Our work opens the door to using these tensor network influence functional methods as general impurity solvers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Elastic Wave Propagation in Curvilinear Coordinates with Mesh Refinement Interfaces by a Fourth Order Finite Difference Method

In this work, we develop a fourth order accurate finite difference method for the three dimensional elastic wave equation in isotropic media with the piecewise smooth material property. In our model, the material property can be discontinuous at curved interfaces. The governing equations are discretized in second order form on curvilinear meshes by using a fourth order finite difference operator satisfying a summation-by-parts property. The method is energy stable and high order accurate. The highlight is that mesh sizes can be chosen according to the velocity structure of the material so that computational efficiency is improved. At the mesh refinement interfaces with hanging nodes, physical interface conditions are imposed by using ghost points and interpolation. With a fourth order predictor-corrector time integrator, the fully discrete scheme is energy conserving. Numerical experiments are presented to verify the fourth order convergence rate and the energy conserving property.

58 GEOSCIENCES↗
DOE OSTI2023

Computing the Central Charge of the 3D Ising CFT Using Quantum Finite Elements

The 3D Ising conformal field theory (CFT) describes different physical systems, such as uniaxial magnets or fluids, at their critical points. In absence of an analytical solution for the 3D Ising model, the scaling dimensions and operator product expansion (OPE) coefficients characterizing this CFT must be determined numerically. The currently most-cited values for these quantities have been obtained from the conformal bootstrap, while lattice calculations have so far only produced reliable results for the scaling dimensions involved in calculating the critical exponents. Using Quantum Finite Elements to investigate critical \(\phi^4\)-theory on \(\mathbb{R}\times\mathbb{S}^2\), we show in this work that it is possible to extract scaling dimensions and OPE coefficients of the 3D Ising CFT by fitting the lattice four-point function with expectations from the operator product expansion for the radially quantized CFT and extrapolating to the continuum limit. This way, we have for the first time been able to use Monte Carlo simulations to compute the central charge of the theory.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Who Controls Energy in the Smart Home? A Multidisciplinary Taxonomy

Advances in technology have begun to open new opportunities for behavior-based and technical approaches to managing residential energy use and meet sustainability-related objectives. Visions of the future predict homes with smart technologies delivering enhanced comfort and cost savings to residents; utility-partners who can remotely optimize energy resources to meet grid needs; and occupants who play more active roles in the energy system supported by advanced information communication technologies. Each of these scenarios implies augmented control over home energy use, yet uncertainties remain regarding which ones will deliver the greatest grid benefits and services to customers in a given situation. These scenarios also raise broader questions regarding customer agency and the relationship between customers and third parties moving forward. While both the provision of information to spur behavior change and automated technologies theoretically enhance control over energy use in the built environment, these strategies are not often studied from an integrated perspective. Seeking to address this gap and develop a deeper understanding of the evolving paradigm of control over home energy use, this paper presents a taxonomy to evaluate perspectives from public policy (ex. demand-side management), technological innovation (automated controls), and user-agency (ex. the role of behavior change) on approaches to managing home energy use. We draw on theoretical and empirical evidence from across disciplines to detail the dimensions and implications of deploying programs that incorporate various levels of control and anticipate such a taxonomy will help holistically map out and evaluate tradeoffs between different approaches to demand-side management moving forward.

McIlvennie, Claire↗