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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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At least 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

SU-G-JeP1-01: A Combination of Real Time Electromagnetic Localization and Tracking with Cone Beam Computed Tomography in Stereotactic Radiosurgery for Brain Tumors

Purpose: 1. online verification of patient position during treatment using calypso electromagnetic localization and tracking system. 2. Verification and comparison of positional accuracy between cone beam computed tomography and calypso system. 3. Presenting the advantage of continuation localization in Stereotactic radiosurgery treatments. Methods: Ten brain tumor cases were taken for this study. Patients with head mask were under gone Computed Tomography (CT). Before scanning, mask was cut on the fore head area to keep surface beacons on the skin. Slice thickness of 0.65 mm were taken for this study. x, y, z coordinates of these beacons in TPS were entered into tracking station. Varian True Beam accelerator, equipped with On Board Imager was used to take Cone beam Computed Tomography (CBCT) to localize the patient. Simultaneously Surface beacons were used to localize and track the patient throughout the treatment. The localization values were compared in both systems. For localization CBCT considered as reference. Tracking was done throughout the treatment using Calypso tracking system using electromagnetic array. This array was in tracking position during imaging and treatment. Flattening Filter free beams of 6MV photons along with Volumetric Modulated Arc Therapy was used for the treatment. The patient movement was observed throughout the treatment ranging from 2 min to 4 min. Results: The average variation observed between calypso system and CBCT localization was less than 0.5 mm. These variations were due to manual errors while keeping beacon on the patient. Less than 0.05 cm intra-fraction motion was observed throughout the treatment with the help of continuous tracking. Conclusion: Calypso target localization system is one of the finest tools to perform radiosurgery in combination with CBCT. This non radiographic method of tracking is a real beneficial method to treat patients confidently while observing real-time motion information of the patient.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Vertical nanoscale strain-induced electronic localization in epitaxial La2/3Sr1/3MnO3 films with ZrO2 nanopillar inclusions

Abstract Unusual electrical transport properties associated with weak or strong localization are sometimes found in disordered electronic materials. Here, we report experimental observation of a crossover of electronic behavior from weak localization to enhanced weak localization due to the spatial influence of disorder induced by ZrO 2 nanopillars in (La 2/3 Sr 1/3 MnO 3 ) 1− x :(ZrO 2 ) x ( x = 0, 0.2, and 0.3) nanocomposite films. The spatial strain regions, identified by scanning transmission electron microscopy and high-resolution x-ray diffraction, induce a coexistence of two-dimentional (2D) and three-dimentional (3D) localization and switches to typical 2D localization with increasing density of ZrO 2 pillars due to length scale confinement, which interestingly accords with enhancing vertically interfacial strain. Based on the excellent agreement of our experimental results with one-parameter scaling theory of localization, the enhanced weak localization exists in metal range close to the fixed point. These films provide a tunable experimental model for studying localization in particular the transition regime by appropriate choice of the second epitaxial phase. Graphical Abstract

36 MATERIALS SCIENCE↗
DOE OSTI2014

Influence of local capillary trapping on containment system effectiveness

Immobilization of CO 2 injected into deep subsurface storage reservoirs is a critical component of risk assessment for geologic CO 2 storage (GCS). Local capillary trapping (LCT) is a recently established mode of immobilization that arises when CO 2 migrates due to buoyancy through heterogeneous storage reservoirs. This project sought to assess the amount and extent of LCT expected in storage formations under a range of injection conditions, and to confirm the persistence of LCT if the seal overlying the reservoir were to lose its integrity. Numerical simulation using commercial reservoir simulation software was conducted to assess the influence of injection. Laboratory experiments, modeling and numerical simulation were conducted to assess the effect of compromised seal integrity. Bench-scale (0.6 m by 0.6 m by 0.03 m) experiments with surrogate fluids provided the first empirical confirmation of the key concepts underlying LCT: accumulation of buoyant nonwetting phase at above residual saturations beneath capillary barriers in a variety of structures, which remains immobile under normal capillary pressure gradients. Immobilization of above-residual saturations is a critical distinction between LCT and the more familiar “residual saturation trapping.” To estimate the possible extent of LCT in a storage reservoir an algorithm was developed to identify all potential local traps, given the spatial distribution of capillary entry pressure in the reservoir. The algorithm assumes that the driving force for CO 2 migration can be represented as a single value of “critical capillary entry pressure” P c,entry crit , such that cells with capillary entry pressure greater/less than P c,entry crit act as barriers/potential traps during CO 2 migration. At intermediate values of P c,entry crit , the barrier regions become more laterally extensive in the reservoir, approaching a percolation threshold while non-barrier regions remain numerous. The maximum possible extent of LCT thus occurs at P c,entry crit near this threshold. Testing predictions of this simple algorithm against full-physics simulations of buoyancy-driven CO 2 migration support the concept of critical capillary entry pressure. However, further research is needed to determine whether a single value of critical capillary entry pressure always applies and how that value can be determined a priori. Simulations of injection into high-resolution (cells 0.3 m on a side) 2D and 3D heterogeneous domains show two characteristic behaviors. At small gravity numbers (vertical flow velocity much less than horizontal flow velocity) the CO 2 fills local traps as well as regions that would act as local barriers if CO 2 were moving only due to buoyancy. When injection ceases, the CO 2 migrates vertically to establish large saturations within local traps and residual saturation elsewhere. At large gravity numbers, the CO 2 invades a smaller portion of the perforated interval. Within this smaller swept zone the local barriers are not invaded, but local traps are filled to large saturation during injection and remain during post-injection gravity-driven migration. The small gravity number behavior is expected in the region within 100 m of a vertical injection well at anticipated rates of injection for commercial GCS. Simulations of leakage scenarios (through-going region of large permeability imposed in overlying seal) indicate that LCT persists (i.e. CO 2 remains held in a large fraction of the local iv traps) and the persistence is independent of injection rate during storage. Simulations of leakage for the limiting case of CO 2 migrating vertically from an areally extensive emplacement in the lower portion of a reservoir showed similar strong persistence of LCT. This research has two broad implications for GCS. The first is that LCT can retain a significant fraction of the CO 2 stored in a reservoir – above and beyond the residual saturation -- if the overlying seal were to fail. Thus frameworks for risk assessment should be extended to account for LCT. The second implication is that compared to pressure driven flow in reservoirs, CO 2 migration and trapping behave in a qualitatively different manner in heterogeneous reservoirs when buoyancy is the dominant driving force for flow. Thus simulations of GCS that neglect capillary heterogeneity will fail to capture important features of the CO 2 plume. While commercial reservoir simulation software can account for fine scale capillary heterogeneity, it has not been designed to work efficiently with such domains, and no simulators can handle fine-scale resolution throughout the reservoir. A possible way to upscale the migration and trapping is to apply an “effective residual saturation” to coarse-scale grids. While the extent of overall immobilization can be correlated in this way, all coarser grids failed to capture the distance traveled by the migrating CO 2 for large gravity number. Thus it remains unclear how best to account for LCT in the routine simulation work-flow that will be needed for large-scale GCS. Alternatives meriting investigation include streamline methods, reduced-physics proxies (e.g. particle tracking), and biased invasion percolation algorithms, which are based on precisely the capillary heterogeneity essential for LCT.

58 GEOSCIENCES↗
NASA NTRS1987

Effect of wave localization on plasma instabilities

The Anderson model of wave localization in random media is involved to study the effect of solar wind density turbulence on plasma processes associated with the solar type III radio burst. ISEE-3 satellite data indicate that a possible model for the type III process is the parametric decay of Langmuir waves excited by solar flare electron streams into daughter electromagnetic and ion acoustic waves. The threshold for this instability, however, is much higher than observed Langmuir wave levels because of rapid wave convection of the transverse electromagnetic daughter wave in the case where the solar wind is assumed homogeneous. Langmuir and transverse waves near critical density satisfy the Ioffe-Reigel criteria for wave localization in the solar wind with observed density fluctuations -1 percent. Numerical simulations of wave propagation in random media confirm the localization length predictions of Escande and Souillard for stationary density fluctations. For mobile density fluctuations localized wave packets spread at the propagation velocity of the density fluctuations rather than the group velocity of the waves. Computer simulations using a linearized hybrid code show that an electron beam will excite localized Langmuir waves in a plasma with density turbulence. An action principle approach is used to develop a theory of non-linear wave processes when waves are localized. A theory of resonant particles diffusion by localized waves is developed to explain the saturation of the beam-plasma instability. It is argued that localization of electromagnetic waves will allow the instability threshold to be exceeded for the parametric decay discussed above.

Levedahl, William Kirk↗
NASA NTRS1992

Integrating a local database into the StarView distributed user interface

A distributed user interface to the Space Telescope Data Archive and Distribution Service (DADS) known as StarView is being developed. The DADS architecture consists of the data archive as well as a relational database catalog describing the archive. StarView is a client/server system in which the user interface is the front-end client to the DADS catalog and archive servers. Users query the DADS catalog from the StarView interface. Query commands are transmitted via a network and evaluated by the database. The results are returned via the network and are displayed on StarView forms. Based on the results, users decide which data sets to retrieve from the DADS archive. Archive requests are packaged by StarView and sent to DADS, which returns the requested data sets to the users. The advantages of distributed client/server user interfaces over traditional one-machine systems are well known. Since users run software on machines separate from the database, the overall client response time is much faster. Also, since the server is free to process only database requests, the database response time is much faster. Disadvantages inherent in this architecture are slow overall database access time due to the network delays, lack of a 'get previous row' command, and that refinements of a previously issued query must be submitted to the database server, even though the domain of values have already been returned by the previous query. This architecture also does not allow users to cross correlate DADS catalog data with other catalogs. Clearly, a distributed user interface would be more powerful if it overcame these disadvantages. A local database is being integrated into StarView to overcome these disadvantages. When a query is made through a StarView form, which is often composed of fields from multiple tables, it is translated to an SQL query and issued to the DADS catalog. At the same time, a local database table is created to contain the resulting rows of the query. The returned rows are displayed on the form as well as inserted into the local database table. Identical results are produced by reissuing the query to either the DADS catalog or to the local table. Relational databases do not provide a 'get previous row' function because of the inherent complexity of retrieving previous rows of multiple-table joins. However, since this function is easily implemented on a single table, StarView uses the local table to retrieve the previous row. Also, StarView issues subsequent query refinements to the local table instead of the DADS catalog, eliminating the network transmission overhead. Finally, other catalogs can be imported into the local database for cross correlation with local tables. Overall, it is believe that this is a more powerful architecture for distributed, database user interfaces.

Silberberg, D. P.↗
NASA NTRS2001

On the Vertical Distribution of Local and Remote Sources of Water for Precipitation

The vertical distribution of local and remote sources of water for precipitation and total column water over the United States are evaluated in a general circulation model simulation. The Goddard Earth Observing System (GEOS) general circulation model (GCM) includes passive constituent tracers to determine the geographical sources of the water in the column. Results show that the local percentage of precipitable water and local percentage of precipitation can be very different. The transport of water vapor from remote oceanic sources at mid and upper levels is important to the total water in the column over the central United States, while the access of locally evaporated water in convective precipitation processes is important to the local precipitation ratio. This result resembles the conceptual formulation of the convective parameterization. However, the formulations of simple models of precipitation recycling include the assumption that the ratio of the local water in the column is equal to the ratio of the local precipitation. The present results demonstrate the uncertainty in that assumption, as locally evaporated water is more concentrated near the surface.

Bosilovich, Michael G.↗
NASA NTRS1949

Gas Motion in a Local Supersonic Region and Conditions of Potential-Flow Breakdown

For a certain Mach number of the oncoming flow, the local velocity first reaches the value of the local velocity of sound (M = 1) at some point on the surface of the body located within the flow. This Mach number is designated the critical Mach number M(sub cr). By increasing the flow velocity, a supersonic local region is formed bounded by the body contour and the line of transition from subsonic to supersonic velocity. As is shown by observations with the Toepler apparatus, at a certain flow Mach number M > M(sub cr) a shock wave is formed near the body that closes the local supersonic region from behind. The formation of the shock wave is associated with the appearance of an additional resistance defined as the wave drag. In this paper, certain features are described of the flow in the local supersonic region, which is bounded by the contour of the body and the transition line, and conditions are sought for which the potential flow with the local supersonic region becomes impossible and a shock wave occurs. In the first part of the paper, the general properties of the potential flow in the local supersonic region, bounded by the contour of the profile and the transition line, are established. It is found that at the transition line, if it is not a line of discontinuity, the law of monotonic variation of the angle of inclination of the velocity vector holds (monotonic law). An approximation is given for the change in velocity at the contour of the body. The flow about a contour having a straight part is studied. In the second part of the paper, an approximation is given of the magnitudes of the accelerations at the interior points of the supersonic region. With the aid of these approximations, it is shown that for profiles convex to the flow the breakdown of the potential flow,associated with an increase of the Mach number of the oncoming flow, cannot be due to the formation of an envelope of the characteristics within the supersonic region. On the basis of the monotonic law, the transitional Mach number M is found, beyond which the potential flow with local supersonic region becomes impossible.

Nikolskii, A. A.↗
NASA NTRS2009

Local-in-Time Adjoint-Based Method for Optimal Control/Design Optimization of Unsteady Compressible Flows

.We study local-in-time adjoint-based methods for minimization of ow matching functionals subject to the 2-D unsteady compressible Euler equations. The key idea of the local-in-time method is to construct a very accurate approximation of the global-in-time adjoint equations and the corresponding sensitivity derivative by using only local information available on each time subinterval. In contrast to conventional time-dependent adjoint-based optimization methods which require backward-in-time integration of the adjoint equations over the entire time interval, the local-in-time method solves local adjoint equations sequentially over each time subinterval. Since each subinterval contains relatively few time steps, the storage cost of the local-in-time method is much lower than that of the global adjoint formulation, thus making the time-dependent optimization feasible for practical applications. The paper presents a detailed comparison of the local- and global-in-time adjoint-based methods for minimization of a tracking functional governed by the Euler equations describing the ow around a circular bump. Our numerical results show that the local-in-time method converges to the same optimal solution obtained with the global counterpart, while drastically reducing the memory cost as compared to the global-in-time adjoint formulation.

Yamaleev, N. K.↗
NASA NTRS2013

The Effect of Fiber Strength Stochastics and Local Fiber Volume Fraction on Multiscale Progressive Failure of Composites

Continuous fiber unidirectional polymer matrix composites (PMCs) can exhibit significant local variations in fiber volume fraction as a result of processing conditions that can lead to further local differences in material properties and failure behavior. In this work, the coupled effects of both local variations in fiber volume fraction and the empirically-based statistical distribution of fiber strengths on the predicted longitudinal modulus and local tensile strength of a unidirectional AS4 carbon fiber/ Hercules 3502 epoxy composite were investigated using the special purpose NASA Micromechanics Analysis Code with Generalized Method of Cells (MAC/GMC); local effective composite properties were obtained by homogenizing the material behavior over repeating units cells (RUCs). The predicted effective longitudinal modulus was relatively insensitive to small (~8%) variations in local fiber volume fraction. The composite tensile strength, however, was highly dependent on the local distribution in fiber strengths. The RUC-averaged constitutive response can be used to characterize lower length scale material behavior within a multiscale analysis framework that couples the NASA code FEAMAC and the ABAQUS finite element solver. Such an approach can be effectively used to analyze the progressive failure of PMC structures whose failure initiates at the RUC level. Consideration of the effect of local variations in constituent properties and morphologies on progressive failure of PMCs is a central aspect of the application of Integrated Computational Materials Engineering (ICME) principles for composite materials.

multiscale analysis↗
NASA NTRS2021

Local Time Dependence of Jupiter's Polar Auroral Emissions Observed by Juno UVS

Auroral brightness and color ratio imagery, captured using the Juno mission's Ultraviolet Spectrograph, display intense emissions poleward of Jupiter's northern main emission, and these are split into two distinctly different spectral or “color ratio” regimes. The most poleward region, designated the “swirl region” by Grodent et al. (2003), https://doi.org/10.1029/2003ja010017, exhibits a high color ratio, while low color ratio emissions are found within the collar around the swirl region but still poleward of the main emission. We confirm the apparent strong magnetospheric local time control within the polar collar (Grodent et al., 2003, https://doi.org/10.1029/2003ja010017), with the dusk side bright “active region” emissions extending from ∼11 to 22 hr of magnetospheric local time. These bright emissions dim by at least an order of magnitude between ∼0 and 11 hr magnetospheric local time, in the midnight to dawn side “dark region.” This magnetospheric local time structure holds true even when the entire northern oval is located on the night side of the planet (in ionospheric local time), a geometry unstudied prior to Juno, as it is unobservable from Earth. The swirl region brightens at ionospheric dawn (∼5–7 ionospheric local time) and diminishes or completely disappears at ionospheric local times of ∼20–22 hr. Finally, the southern auroral polar emissions appear to share all of the local time dependencies of its northern counterpart, but at a reduced intensity

Thomas Greathouse↗
DOE OSTI2020

Resolution system that provides access to remote data locally

A system and method that provides access to remote data locally by identifying and downloading linked content from a plurality of remote sources through a communication network; decomposing the downloaded content into local content elements by intercepting links between the content elements and mapping the intercepted links to redirected links that locate the same download content in a local cache or a local server proxy; identifying remote devices requesting access to the local cache or the local server proxy and the device's functionality through a tracking code stored on the remote devices and a probabilistic tracking; and providing access to the local cache or the local server proxy in response to authorizations associated with the identified devices and a user.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Strain localization criteria for viscoplastic geomaterials

This report presents a viscoplastic localization criterion to detect quasi-instantaneous (i.e., load-induced) and delayed (creep-induced) strain localization in rate-dependent solids. The study is based on the theory of controllability and a viscoplastic description of the mechanical response. Analytical precursors of unstable states are defined through systems of ordinary differential equations (OEDs). The use of the proposed criteria is illustrated at the material point level through a set of strain localization analyses simulating active strain localization of a porous rock. In addition, full-field finite element simulations of compression tests conducted under various pressures are reported to demonstrate the role of local unstable viscoplasticity in the spontaneous propagation of deformation bands under stationary boundary conditions. The study shows that the viscoplastic localization criterion maintains a negative sign as long as the behavior is unstable, that is, the rate of deformation is accelerating. The sign switch coincides with the transition to decelerating deformation. The analyses revealed that pulses of overstress always emerge in correspondence with the growth of unstable behavior, and the peak matches the transition to stable behavior. The local responses recovered from full-field analyses were consistent with those observed in analyses at material point level and the predictions of the presented theory.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Instantaneous spatially local projective measurements are consistent in a relativistic quantum field

Suppose the postulate of measurement in quantum mechanics can be extended to quantum field theory; then a local projective measurement at some moment on an object locally coupled with a relativistic quantum field will result in a projection or collapse of the wavefunctional of the combined system defined on the whole time-slice associated with the very moment of the measurement, if the relevant degrees of freedom have nonzero correlations. This implies that the wavefunctionals in the same Hamiltonian system but defined in different reference frames would collapse on different time-slices passing through the same local event where the measurement was done. Are these post-measurement states consistent with each other? We illustrate that the quantum states of the Raine-Sciama-Grove detector-field system started with the same initial Gaussian state defined on the same initial time-slice, then collapsed by the measurements on the pointlike detectors on different time-slices in different frames, will evolve to the same state of the combined system up to a coordinate transformation when compared on the same final time-slice. Such consistency is guaranteed by the spatial locality of interactions and the general covariance in a relativistic system, together with the spatial locality of measurements and the linearity of quantum dynamics in its quantum theory. - Highlights: Black-Right-Pointing-Pointer Spatially local quantum measurements in detector-field models are studied. Black-Right-Pointing-Pointer Local quantum measurement collapses the wavefunctional on the whole time-slice. Black-Right-Pointing-Pointer In different frames wavefunctionals of a field would collapse on different time-slices. Black-Right-Pointing-Pointer States collapsed by the same measurement will be consistent on the same final slice.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

The influence of preexisting host rock damage on fault network localization

The transition from stable to unstable fracture propagation occurs when fractures begin to interact and link. Thus, fracture network coalescence controls how rocks and engineered structures fail. Here, to constrain the factors that influence localization in shear zones under brittle conditions, we build discrete element method models with a rough fault embedded in a shear zone. We add varying numbers of diffuse, randomly-placed weaknesses to examine the influence of diffuse damage on fracture network localization. The number of weaknesses controls the localization behavior of the fault network and the final fault geometry. We quantify localization using the Gini coefficient of the fracture volume, which measures the nonuniformity in a population. Each model generally increases in localization toward failure. However, models with more diffuse damage experience delocalization phases that are superimposed on the overall trend of increasing localization. The observed link between delocalization and host rock damage may help explain the varying localization of low magnitude seismicity in southern California. Models with more diffuse damage produce more complex fault geometries comprised of several parallel strands of wing cracks. The propagation of these wing cracks reduces the shear stress acting on the model boundaries, indicating that this fracture development increases the mechanical efficiency of the system.

58 GEOSCIENCES↗
DOE OSTI2017

Edge localized modes of cold neutrons in periodic condensed media

It is found that for certain energies of discreet cold neutrons, quasi-stationary eigen solutions of the corresponding Schrodinger equation, which are localized in the layer of a periodic medium, exist. The localization time of these solutions is strongly dependent on the layer thickness, being finite for a finite layer thickness and increasing indefinitely upon a infinite growth of the layer thickness as the third power of the layer thickness. The problem has been solved in the two-wave approximation of the dynamic diffraction theory for the neutron propagation direction coinciding with the periodicity axes (normal incidence of the neutron beam on the layer). The expressions for neutron eigenwave functions in a periodic medium, the reflection and transmission coefficients, and the neutron wavefunction in the layer as a function of the neutron energy incident on the layer have been determined. It turns out that for the certain discrete neutron energies, the amplitudes of the neutron wavefunction in the layer reach sharp maxima. The corresponding energies are just outside of the neutron stop band (energies forbidden for neutron propagation in the layer) and determine the energies of neutron edge modes (NEMs) localized in the layer, which are direct analogs of the optical edge modes for photonic crystals. The dispersion equation for the localized neutron edge modes has been obtained and analytically solved for the case of thick layers. A rough estimate for the localization length L is L ~(db N){sup –1}, where b is the neutron scattering length, d is the crystal period, and N is the density of nuclei in the crystal. The estimates of the localized thermal neutron lifetime show that acheaving of a lifetime close to the free neutron lifetime seems nonrealistic due to absorption of thermal neutrons and requires a perfect large size crystal. Nevertheless, acheaving the localized neutron lifetime exceeding by ~10{sup 4} times the neutron time of flight through the layer appears as experimentally attainable. The perspectives of the NEM observation are briefly discussed. It is proposed to use NEM for ultrahigh thermal neutron monochromatization by means of NEM excitation in perfect single crystals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Transforming our understanding of chloroplast-associated genes through comprehensive characterization of protein localizations and protein-protein interactions

Bioenergy crops are a renewable source of fuels and are a critical base for building a carbon-neutral economy. Rational engineering of bioenergy crops has the potential to enhance the yields. However, our ability to engineer plants is limited because the functions of most genes remain unknown. Systematic characterization of gene function in plants thus has the potential to greatly accelerate bioenergy research. Here, we focus on the chloroplast, an underexplored energy-producing organelle that is a hallmark of plants. The chloroplast is one of the promising targets of biofuel crop engineering efforts because of its central role in photosynthesis, metabolism, and intracellular signaling. However, the protein composition of the chloroplast and the functions of most of its proteins remain poorly characterized. At the core of this project, we sought to comprehensively determine the localization of chloroplast-associated proteins and generate a spatially defined protein-protein interaction network for chloroplast. For this purpose, we used the leading model alga Chlamydomonas reinhardtii, which greatly increased experimental speed and throughput. We illustrated the value of our findings to land plants by determining the localization of Arabidopsis thaliana land plant homologs of the Chlamydomonas proteins. Altogether, we were successful in determining the localization of 1,034 chloroplast-associated proteins in Chlamydomonas. The localizations provide numerous insights into the spatial organization of chloroplasts and how they function to support photosynthesis. The localization patterns of distinct proteins revealed new chloroplast structures and revealed new spatial organization inside the chloroplast. We also identified new components of known chloroplast structures, such as the chloroplast envelope, nucleoid, plastoglobuli, and pyrenoid. We identified these new components by investigating the interacting partners of known proteins. Many proteins localized in both the chloroplast and other cellular structures, thereby hinting at new functions and communication between cellular structures. We also applied machine learning on the atlas to generate predictions for the location of all of the proteins in Chlamydomonas. This enabled us to assign putative functions to many uncharacterized proteins based on their cellular location. Altogether, this research establishes a rich resource that opens new avenues of investigation and guides future work in deciphering and manipulating chloroplast function. Next, we developed an extensive protein-protein interaction network for the chloroplast by performing affinity purification-mass spectrometry on ~1,150 tagged chloroplast-associated proteins, the first such large-scale study in any photosynthetic organism. This dataset reveals 4,694 high-confidence protein-protein interactions, offering insights into the functions of thousands of conserved poorly-characterized chloroplast proteins. This systematic identification of protein-protein interactions in the chloroplast also provides multiple exciting new research directions and a detailed blueprint of the chloroplast's operation. This research lays the groundwork to decipher the inner workings of the chloroplast, the cell structure at the heart of photosynthesis. The spatial atlas and protein-protein interactions reveal chloroplast organizational features that would not have been accessible with traditional approaches. The localization mapping, insights into the function, and research materials generated further provide a rich resource for the research community to advance the understanding of how the chloroplast is organized to enable engineering of enhanced photosynthetic organisms.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Concurrent two-way coupling of global and local models across internal boundaries with non-matching discretizations

Coupling local and global models enables efficient simulation of multiscale systems, where global models capture large-scale behavior and local models, with enhanced physics, resolve finer details over a smaller region. Here, this paper presents a mathematically consistent method for coupling physics-based models of varying fidelity across adjacent, non-overlapping subdomains, even when discretizations do not match at the immersed interdomain interfaces. Incompressible Navier-Stokes equations (NSE) constitute the global model while residual-based turbulence model serves as the local high-fidelity model. In addition, a scalar advection-diffusion equation that models the convection of an active scalar field is appended to the turbulence model in the local domain. This scalar field does not have its complement in the global model, giving rise to unequal number of equations at the immersed boundary between local and global models. Interdomain coupling terms are derived via the Variational Multiscale Discontinuous Galerkin (VMDG) method with new developments in scale representation and efficient fine-scale estimation. While transient laminar flows modeled with NSE in the global domain can be resolved with relatively coarse mesh, turbulent flow calculations in the local model require much finer spatial discretizations as well as smaller time-step for appropriately resolving the turbulent flow physics. The proposed framework also accommodates non-matching meshes at the immersed boundaries. Test problems in 2D and 3D numerically showcase the concurrent two-way coupling of unknown fields across the immersed boundaries. The 3D test presents a case with an unequal number of equations, where the scalar field represents the convection of contaminant concentration. This provides more detailed physics in the local region and highlights its application in climate modeling and atmospheric sciences.

Variational Multiscale Discontinuous Galerkin (VMD↗
DOE OSTI2017

Localization landscape theory of disorder in semiconductors. I. Theory and modeling

Here, we present here a model of carrier distribution and transport in semiconductor alloys accounting for quantum localization effects in disordered materials. This model is based on the recent development of a mathematical theory of quantum localization which introduces for each type of carrier a spatial function called localization landscape. These landscapes allow us to predict the localization regions of electron and hole quantum states, their corresponding energies, and the local densities of states. We show how the various outputs of these landscapes can be directly implemented into a drift-diffusion model of carrier transport and into the calculation of absorption/emission transitions. This creates a new computational model which accounts for disorder localization effects while also capturing two major effects of quantum mechanics, namely, the reduction of barrier height (tunneling effect) and the raising of energy ground states (quantum confinement effect), without having to solve the Schrödinger equation. Finally, this model is applied to several one-dimensional structures such as single quantum wells, ordered and disordered superlattices, or multiquantum wells, where comparisons with exact Schrödinger calculations demonstrate the excellent accuracy of the approximation provided by the landscape theory.

36 MATERIALS SCIENCE↗