Light-Controlled Room Temperature Ferromagnetism in Vanadium-Doped Tungsten Disulfide Semiconducting Monolayers
Not provided.
Materials Science↗
SEARCH · Search NASA
Results for “Soft computing”
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Celestial gluon amplitudes from the outside in
We show that, given a two-dimensional realization of the celestial OPE in self-dual Yang-Mills, we can find a scalar source around which scattering amplitudes replicate correlation functions computed from the 2D ‘gluon’ operators in a limit where a dynamic massless scalar decouples. We derive conditions on the two-dimensional three-point correlation function so that such a source exists and give two particular examples of this construction, one in which gluons are constructed from vertex operators in the semiclassical limit of Liouville theory and another in which the soft gluons arise from generalized free fields. Finally, we identify a bulk dual to the level of the boundary Kac-Moody algebra and discuss moving beyond the decoupling limit.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Analytical Model of High-Velocity Impact of a Deformable Projectile Against Textile-Based Composites
Textile-based composites are used in manufacturing of ballistic shields due to their favorable combination of mechanical properties which enables weight saving and efficiency while retaining or even improving ballistic performance. Predictive models are an important tool in reducing experimental tests which are still an important step in ballistic shield design. Among those, analytical models provide less accurate results but require far less computational cost than numerical models and can be used for preliminary analyses. Many authors in the literature have developed analytical models for high-velocity impact on textile-based composites based on wave propagation theory and an energy equilibrium approach. The main limitation of these models is the assumption of rigid projectile which leads to the underestimation of the ballistic limit for soft core projectiles, which are a very common type of threat for this kind of protection. For this reason, an enhanced version of these models is reported in this paper, which releases the assumption of rigid projectile and adds erosion and deformation of the projectile to the formulation. Ballistic tests were performed on panels manufactured from layers of Kevlar 29 plain weave fabric embedded in an epoxy matrix. An insight into the different kinds of energy absorption considered by the model shows that projectile deformation plays an important role in the dissipation of the kinetic energy of the projectile in case of intermediate impact velocity. For this reason, the present model delivers more accurate results than the models present in the literature. In particular, the estimation of the ballistic limit is drastically improved which is a key step in ballistic shields optimization.
36 MATERIALS SCIENCE↗
Accelerating dissipative particle dynamics simulations for soft matter systems
Dissipative particle dynamics (DPD) is a coarse-grained particle-based simulation method that offers microscopic-scale insights into soft matter systems. We present an efficient implementation of a DPD model for graphical processing units (GPUs). As implemented in the LAMMPS molecular dynamics package, it can run effectively on current-generation supercomputers which often have hybrid nodes containing multi-core CPUs and (one or more) GPUs. Using efficient communication of information between the CPUs and GPUs, DPD interactions can be computed on the GPU while other portions of a full simulation model (boundary conditions, constraints, bonded interactions, diagnostic calculations, etc.) can be performed on the CPU. Our GPU-enhanced runs show a speedup of up to 9.5× versus many-core CPU simulations, and can run scalably across thousands of compute nodes. We briefly discuss how the new GPU implementation was validated against the CPU version for thermodynamics, diffusion, and hydrodynamic behavior. We also highlight large-scale models which the faster DPD implementation has enabled, for studies of monolayer self-assembly and thin-film instabilities.
36 MATERIALS SCIENCE↗
A reinforcement learning approach to long-horizon operations, health, and maintenance supervisory control of advanced energy systems
In this work, we develop a Reinforcement Learning (RL) approach to the supervisory control problem for advanced energy systems, such as novel nuclear reactors and other demand-driven, mission-critical, and component-health-sensitive energy plants. The inclusive problem landscape considered captures the stochastic confluence of plant performance, component health evolution, power demand from the grid, diverse maintenance actions, and operator-defined goals and constraints, all considered over meaningfully long-enough reasoning horizons. Key aspects of the proposed approach are a receding horizon control-inspired technique dictating time- or event-triggered supervisory policy (re-)constructions, as well as additional capability-enabling contributions such as timescale compression, to handle long reasoning horizons and uncertainty in parts of the problem, and practical yet demonstrably-effective handling of hybrid action spaces with continuous and discrete decision variables. The resulting algorithm consists of a simulation-based RL agent constructing stochastic supervisory control policies over nontrivial action spaces and for long horizons, applying the learned policy to the system for a much shorter interval, and perpetually repeating, to construct the next long-horizon policy. That next policy will only be applied, again, for a short interval, yet originally far-in-time events move progressively closer, their associated uncertainty decreases, and new events and aspects enter the reasoning horizon. The proposed methodology bridges fundamental receding horizon concepts with the unequivocally stronger and more scalable reasoning of contemporary RL. Numerical examples using Soft Actor–Critic Deep RL illustrate the operation and efficacy of the proposed technique for a power plant tasked with health-aware load following missions in a dynamic electricity market landscape.
97 MATHEMATICS AND COMPUTING↗
Toward Magnetic Resonance–Only Simulation: Segmentation of Bone in MR for Radiation Therapy Verification of the Head
Purpose: To develop a practical method to localize bones in magnetic resonance (MR) images, to create “computed tomography–like” MR images (ctMRI) that could be used for radiation therapy verification, and to generate MR-based digitally reconstructed radiographs (DRR). Methods and Materials: Using T1-weighted MR images, an air mask was derived from the manual contouring of all airways within the head and neck region using axial images at 6 anatomic levels. Compact bone, spongy bone, and soft tissue masks were then automatically generated using the statistical data derived from MR intensities and the air mask. ctMRI were then generated by mapping the MR intensities of the voxels within these masks into the CT number ranges of corresponding tissues. MR-based DRRs created from ctMRI were quantitatively evaluated using the co-registered MR and CT head images of 20 stereotactic radiosurgery patients. Ten anatomical points, positioned on the skull segmented using a threshold of 300 HU, in CT and ctMRI, were used to determine the differences in distance between MR-based DRRs and CT-based DRRs, and to evaluate the geometric accuracy of ctMRI and MR-based DRRs. Results: The bony structures were identified on ctMRI and were visible in the MR-based DRRs. From the 20 patient cases, the mean geometric difference and standard deviation between the 10 anatomical points on MR-based and CT-based DRRs was −0.05 ± 0.85 mm, respectively. This included uncertainty in image fusion. The maximum distance difference was 1.88 mm. Conclusions: A practical method was developed to segment bone from MR images. The ctMRI created can be used for radiation treatment verification when MR-only simulation is performed. MR-based DRRs can be used in place of CT-based DRRs.
62 RADIOLOGY AND NUCLEAR MEDICINE↗
Charge-Based Droop Control Addressing Control Saturation for Low-Inertia Converters
With bulky dc-link capacitors/inductors, traditional voltage-source converters (VSCs) and current-source converters (CSCs) feature a large inertia to facilitate the converter control under large transients. To achieve high power density with reduced cost, low-inertia converters (LICs) featuring significantly reduced dc-link capacitors/inductors have attracted growing attention. However, without bulky dc-link energy buffer, LICs are prone to control saturation under large transients, resulting in undesired oscillation and instability. This issue cannot be managed by traditional proportional-integral based control due to the low inertia. And it will deteriorate when several LICs are connected in series. To address this challenge in LICs, a model-predictive control (MPC) with a computation-inexpensive feed-forward compensation method has been proposed to provide fast dynamic responses. But it would suffer control saturation under larger transients that degrades the control performance. In this article, a charge-based droop control (CDC) is proposed to address this remaining challenge. This paper firstly analyzes the control saturation challenge in LICs by using a tri-port soft-switching solid-state transformer as an example. Next, the operating principle of the proposed CDC are introduced. Two different implementation approaches are discussed in detail. Lastly, the proposed scheme is validated in simulation with a high-fidelity model of hardware prototype. As a result, the proposed CDC eliminated the 2 kHz oscillation and reduced the dc-link ripple and overshoot due to control saturation by 75% and 50%, respectively.
30 DIRECT ENERGY CONVERSION↗
Characterizing the X-Ray Spectrum of the Galactic Halo
The goal of this project is to determine the spectrum of the Galactic halo's soft X-ray emission. These photons are emitted by hot, diffuse gas hundreds to thousands of parsecs from the Galactic plane. Thus, the emission is weak, can be confused with locally produced photons, and must be distinguished from noise. My co-I has made significant progress on determining the background. I have been working on a complementary aspect of the project: computer simulations of the hot gas in the local and distant regions.
Source record↗
SUSY’s Ladder: Reframing sequestering at Large Volume
Theories with approximate no-scale structure, such as the Large Volume Scenario, have a distinctive hierarchy of multiple mass scales in between TeV gaugino masses and the Planck scale, which we call SUSY's Ladder. This is a particular realization of Split Supersymmetry in which the same small parameter suppresses gaugino masses relative to scalar soft masses, scalar soft masses relative to the gravitino mass, and the UV cutoff or string scale relative to the Planck scale. This scenario has many phenomenologically interesting properties, and can avoid dangers including the gravitino problem, flavor problems, and the moduli-induced LSP problem that plague other supersymmetric theories. We study SUSY's Ladder using a superspace formalism that makes the mysterious cancelations in previous computations manifest. This opens the possibility of a consistent effective field theory understanding of the phenomenology of these scenarios, based on power-counting in the small ratio of string to Planck scales. We also show that four-dimensional theories with approximate no-scale structure enforced by a single volume modulus arise only from two special higher-dimensional theories: five-dimensional supergravity and ten-dimensional type IIB supergravity. As a result, this gives a phenomenological argument in favor of ten dimensional ultraviolet physics which is different from standard arguments based on the consistency of superstring theory.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Improved opacity expansion for medium-induced parton splitting
We present a new expansion scheme to compute the rate for parton splittings in dense and finite QCD media. In contrast to the standard opacity expansion, our expansion is performed around the harmonic oscillator whose characteristic frequency depends on the typical transverse momentum scale generated in the splitting. The first two orders account for the high frequency regime that is dominated by single hard scatterings together with the regime of multiple soft scatterings at low frequency. This work generalizes the findings of Ref. [1] beyond the leading logarithmic approximation allowing to account also for the Bethe-Heitler regime and compare to the full numerical results from [2]. We investigate the sensitivity of our results to varying the separation scale that defines the leading order. Finally, the application to Monte Carlo event generators is discussed.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Unraveling interphase-driven failure pathways in LiMn0.6Fe0.4PO4/graphite pouch cells
LiMnxFe1−xPO4 (LMFP) is a promising high-voltage, thermally stable, and earth-abundant cathode material, yet its practical application is limited by interphase instability and Mn dissolution. In this work, we systematically evaluate LiMn0.6Fe0.4PO4/graphite pouch cells using three electrolyte formulations including control carbonate electrolyte, control + 2 wt% vinylene carbonate (VC), and control + 2 wt% VC + 1 wt% 1,3,2-dioxathiolane 2,2-dioxide (DTD), to establish how electrolyte composition governs interphase chemistry and long-term degradation. Electrochemical testing shows that both additives are preferentially reduced prior to ethylene carbonate (EC) during cell formation, generating robust cathode-electrolyte interphase (CEI) and solid-electrolyte interphase (SEI) layers that suppress gas evolution and raise the first-cycle coulombic efficiency to 89.3%. Additionally, the dual-additive electrolyte delivers the most stable performance, retaining over 85% capacity after 600 cycles while minimizing impedance growth under long-term cycling at C/3 and 40 °C. Soft X-ray absorption spectroscopy confirms that VC + DTD effectively suppresses electrolyte oxidation at the cathode surface, and micro-X-ray fluorescence shows substantially reduced Mn dissolution and deposition on the graphite anode. Density functional theory simulations further provided insights into the structural and energetic influences of alkoxide species on the cathode surface, proposing a Mn2+ extraction mechanism. The combined experimental and computational findings establish a mechanistic link between electrolyte composition and interphase evolution, highlighting the effectiveness of electrolyte engineering for extending the operational lifetime of LMFP-based lithium-ion batteries.
Chak, Chanmonirath Michael↗
Moving beyond the constraints of chemistry via crystal structure discovery with isotropic multiwell pair potentials
The rigid constraints of chemistry-dictated by quantum mechanics and the discrete nature of the atom-limit the set of observable atomic crystal structures. What structures are possible in the absence of these constraints? Here, we systematically crystallize one-component systems of particles interacting with isotropic multiwell pair potentials. We investigate two tunable families of pairwise interaction potentials. Our simulations self-assemble a multitude of crystal structures ranging from basic lattices to complex networks. Sixteen of the structures have natural analogs spanning all coordination numbers found in inorganic chemistry. Fifteen more are hitherto unknown and occupy the space between covalent and metallic coordination environments. The discovered crystal structures constitute targets for self-assembly and expand our understanding of what a crystal structure can look like.
crystal structures↗
Shape matters: The case for Ellipsoids and Ellipsoidal Water
We describe the shape potentials used for the van der Waals interactions between soft-ellipsoids used to coarse-grain molecular moieties in our Metropolis Monte-Carlo simulation software. The morphologies resulting from different expressions for these van der Waals interaction potentials are discussed for the case of a prolate spheroid system with a strong dipole at the ellipsoid center. We also show that the calculation of ellipsoids is, at worst, only about fivefold more expensive computationally when compared to a simple Lennard- Jones sphere. Finally, as an application of the ellipsoidal shape we parametrize water from the original SPC water model and observe – just through the difference in shape alone – a significant improvement of the O-O radial distribution function when compared to experimental data.
Tillack, Andreas↗
An Experimental and Kinetic Modeling Study of Premixed Laminar Flames of Methyl Pentanoate and Methyl Hexanoate
Detailed chemical structures of stoichiometric and rich premixed laminar flames of methyl pentanoate and methyl hexanoate were investigated over a flat burner at 20 Torr and for methyl pentanoate at 1 atm. Molecular beam mass spectrometry was used with tunable synchrotron vacuum ultraviolet (VUV) photoionization for low pressure flames of both methyl pentanoate and methyl hexanoate, and soft electron-impact ionization was used for atmospheric pressure flames of methyl pentanoate. Mole fraction profiles of stable and intermediate species, as well as temperature profiles, were measured in the flames. A detailed chemical kinetic high temperature reaction mechanism for small alkyl ester oxidation was extended to include combustion of methyl pentanoate and methyl hexanoate, and the resulting model was used to compare computed values with experimentally measured values. Reaction pathways for both fuels were identified, with good agreement between measured and computed species profiles. Implications of these results for future studies of larger alkyl ester fuels are discussed.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Experimental Evaluation of the Scale Model Method to Simulate Lunar Vehicle Dynamics
As compared to driving on Earth, the presence of lower gravity and uneven terrain on planetary bodies makes high speed driving difficult. In order to maintain ground contact and control vehicles need to be designed with special attention to dynamic response. The challenge of maintaining control on the Moon was evident during high speed operations of the Lunar Roving Vehicle (LRV) on Apollo 16, as at one point all four tires were off the ground; this event has been referred to as the Lunar Grand Prix. Ultimately, computer simulation should be used to examine these phenomena during the vehicle design process; however, experimental techniques are required for the validation and elucidation of key issues. The objectives of this study were to evaluate the methodology for developing a scale model of a lunar vehicle using similitude relationships and to test how vehicle configuration, six or eight wheel pods, and local tire compliance, soft or stiff, affect the vehicles dynamic performance. A wheel pod consists of a drive and steering transmission and wheel. The Lunar Electric Rover (LER), a human driven vehicle with a pressurized cabin, was selected as an example for which a scale model was built. The scaled vehicle was driven over an obstacle and the dynamic response was observed and then scaled to represent the full-size vehicle in lunar gravity. Loss of ground contact, in terms of vehicle travel distance with tires off the ground, was examined. As expected, local tire compliance allowed ground contact to be maintained over a greater distance. However, switching from a six-tire configuration to an eight-tire configuration with reduced suspension stiffness had a negative effect on ground contact. It is hypothesized that this was due to the increased number or frequency of impacts. The development and testing of this scale model provided practical lessons for future low-gravity vehicle development.
Moon↗
Computational Modeling Demonstrates the Joint Clearance Effect on the Tensile Strength of Solder Joints.
Soldered joints can be made with a wide range of base materials and filler metals that allow the assembly to meet its performance and reliability requirements. Structural solder joints have, as their foremost requirement, to provide mechanical attachment between base material structures. The joint is typically subjected to one, or a combination of, three loading configurations: (a) tensile or compressive force, (b) shear force, or (c) peel force. Solder filler metals and in particular, the so-called “soft solders” based on tin (Sn), lead (Pb), and indium (In), generally have a bulk strength that is less than that of the base materials. Finally, deformation occurs largely in the solder when the joint is subjected to an applied force.
36 MATERIALS SCIENCE↗
Medial packing and elastic asymmetry stabilize the double-gyroid in block copolymers
Triply-periodic networks are among the most complex and functionally valuable self-assembled morphologies, yet they form in nearly every class of biological and synthetic soft matter building blocks. In contrast to simpler assembly motifs – spheres, cylinders, layers – networks require molecules to occupy variable local environments, confounding attempts to understand their formation. Here, we examine the double-gyroid network phase by using a geometric formulation of the strong stretching theory of block copolymer melts, a prototypical soft self-assembly system. The theory establishes the direct link between molecular packing, assembly thermodynamics and the medial map, a generic measure of the geometric center of complex shapes. We show that “medial packing” is essential for stability of double-gyroid in strongly-segregated melts, reconciling a long-standing contradiction between infinite- and finite-segregation theories. Additionally, we find a previously unrecognized non-monotonic dependence of network stability on the relative entropic elastic stiffness of matrix-forming to tubular-network forming blocks. The composition window of stable double-gyroid widens for both large and small elastic asymmetry, contradicting intuitive notions that packing frustration is localized to the tubular domains. This study demonstrates the utility of optimized medial tessellations for understanding soft-molecular assembly and packing frustration via an approach that is readily generalizable far beyond gyroids in neat block copolymers.
36 MATERIALS SCIENCE↗
Chemotherapy Response Assessment by FDG-PET-CT in Early-stage Classical Hodgkin Lymphoma: Moving Beyond the Five-Point Deauville Score
Purpose: In early-stage classical Hodgkin lymphoma, fluorodeoxyglucose positron emission tomography (PET)-computed tomography (CT) scans are performed routinely after chemotherapy, and the 5-point Deauville score is used to report the disease response. We hypothesized that other PET-CT parameters, considered in combination with Deauville score, would improve risk stratification. Methods and Materials: Patients treated for stage I to II Hodgkin lymphoma from 2003 to 2013, who were aged ≥18 years and had analyzable PET-CT scans performed before and after chemotherapy, were eligible. The soft tissue volume (STV), maximum standardized uptake value, metabolic tumor volume, and total lesion glycolysis were recorded from the PET-CT scans before and after chemotherapy. Reductions were defined as 1 − (final PET-CT value)/(corresponding initial PET-CT value). The primary endpoint was freedom from progression (FFP). Results: For 202 patients treated with chemotherapy with or without radiation therapy, the 5-year FFP was 89% (95% confidence interval 85%-93%). All PET-CT parameters were strongly associated with the Deauville score (P<.001) and FFP (P<.0001) on univariate analysis. The Deauville score was highly predictive of FFP (C-index 0.89) but was less discriminating in the Deauville 1 to 4 subset (C-index 0.67). Therefore, we aimed to identify PET-CT parameters that would improve risk stratification for this subgroup (n=187). STV reduction was predictive of outcome (C-index 0.71) and was dichotomized with an optimal cutoff of 0.65 (65% reduction in STV). A model incorporating the Deauville score and STV reduction predicted FFP more accurately than either measurement alone in the Deauville 1 to 4 subset (C-index 0.83). The improvement in predictive accuracy of this composite measure compared with the Deauville score alone met statistical significance (P=.045). Conclusions: The relative reduction in tumor size is an independent predictor of outcome. Combined with the Deauville score, it might improve risk stratification and contribute to response-adapted individualization of therapy.
62 RADIOLOGY AND NUCLEAR MEDICINE↗