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Results for “simulated annealing”

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 145 records · Page 8

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NASA NTRS1993

Design of coupled mace filters for optical pattern recognition using practical spatial light modulators

Spatial light modulators (SLMs) are being used in correlation-based optical pattern recognition systems to implement the Fourier domain filters. Currently available SLMs have certain limitations with respect to the realizability of these filters. Therefore, it is necessary to incorporate the SLM constraints in the design of the filters. The design of a SLM-constrained minimum average correlation energy (SLM-MACE) filter using the simulated annealing-based optimization technique was investigated. The SLM-MACE filter was synthesized for three different types of constraints. The performance of the filter was evaluated in terms of its recognition (discrimination) capabilities using computer simulations. The correlation plane characteristics of the SLM-MACE filter were found to be reasonably good. The SLM-MACE filter yielded far better results than the analytical MACE filter implemented on practical SLMs using the constrained magnitude technique. Further, the filter performance was evaluated in the presence of noise in the input test images. This work demonstrated the need to include the SLM constraints in the filter design. Finally, a method is suggested to reduce the computation time required for the synthesis of the SLM-MACE filter.

Rajan, P. K.↗

DOE OSTI2026

Complex Dynamics in Argyrodite Solid-State Ion Conductors

Argyrodites are a compositionally diverse family of materials that exhibit remarkable ion transport properties. While the average crystal structures of argyrodites have been extensively studied, ion transport in these materials is governed by a confluence of dynamic processes spanning the cation, anion, and polyanionic sublattices. This Perspective synthesizes recent advances in understanding the role of dynamics in structural behavior and ion transport properties. We examine the compositional and structural motifs that govern order−disorder transitions within the argyrodite family and further explore how ion hopping is facilitated by lattice dynamics, from long-range phonons to local rotational dynamics of polyanionic species. Through the lens of dynamics spanning multiple time and length scales, we establish guiding principles that govern transport phenomena and highlight avenues of future study for the argyrodite family of ion conductors.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Patterning of multicomponent elastic shells by gaussian curvature

Recent findings suggest that shell protein distribution and the morphology of bacterial microcompartments regulate the chemical fluxes facilitating reactions which dictate their biological function. Here, we explore how the morphology and component patterning are coupled through the competition of mean and gaussian bending energies in multicomponent elastic shells that form three-component irregular polyhedra. We observe two softer components with lower bending rigidities allocated on the edges and vertices while the harder component occupies the faces. When subjected to a nonzero interfacial line tension, the two softer components further separate and pattern into subdomains that are mediated by the gaussian curvature. We find that this degree of fractionation is maximized when there is a weaker line tension and when the ratio of bending rigidities between the two softer domains ≈2. Our results reveal a patterning mechanism in multicomponent shells that can capture the observed morphologies of bacterial microcompartments, and moreover, can be realized in synthetic vesicles.

Monte Carlo methods↗

NASA NTRS2005

Hardware platforms for MEMS gyroscope tuning based on evolutionary computation using open-loop and closed -loop frequency response

We propose a tuning method for MEMS gyroscopes based on evolutionary computation to efficiently increase the sensitivity of MEMS gyroscopes through tuning. The tuning method was tested for the second generation JPL/Boeing Post-resonator MEMS gyroscope using the measurement of the frequency response of the MEMS device in open-loop operation. We also report on the development of a hardware platform for integrated tuning and closed loop operation of MEMS gyroscopes. The control of this device is implemented through a digital design on a Field Programmable Gate Array (FPGA). The hardware platform easily transitions to an embedded solution that allows for the miniaturization of the system to a single chip.

evolvable hardware↗

NASA NTRS2006

Tuning of MEMS Gyroscope using Evolutionary Algorithm and "Switched Drive-Angle" Method

We propose a tuning method for Micro-Electro-Mechanical Systems (MEMS) gyroscopes based on evolutionary computation that has the capacity to efficiently increase the sensitivity of MEMS gyroscopes through tuning and, furthermore, to find the optimally tuned configuration for this state of increased sensitivity. We present the results of an experiment to determine the speed and efficiency of an evolutionary algorithm applied to electrostatic tuning of MEMS micro gyros. The MEMS gyro used in this experiment is a pyrex post resonator gyro (PRG) in a closed-loop control system. A measure of the quality of tuning is given by the difference in resonant frequencies, or frequency split, for the two orthogonal rocking axes. The current implementation of the closed-loop platform is able to measure and attain a relative stability in the sub-millihertz range, leading to a reduction of the frequency split to less than 100 mHz.

Micro-Electro-Mechanical Systems (MEMS)↗

NASA NTRS2005

Evolutionary Computation Applied to the Tuning of MEMS Gyroscopes

We propose a tuning method for MEMS gyroscopes based on evolutionary computation to efficiently increase the sensitivity of MEMS gyroscopes through tuning and, furthermore, to find the optimally tuned configuration for this state of increased sensitivity. The tuning method was tested for the second generation JPL/Boeing Post-resonator MEMS gyroscope using the measurement of the frequency response of the MEMS device in open-loop operation.

evolvable hardware↗

NASA NTRS2012

A Peculiar Class of Debris Disks from Herschel/DUNES: A Steep Fall Off in the Far Infrared

Context. The existence of debris disks around old main sequence stars is usually explained by continuous replenishment of small dust grains through collisions from a reservoir of larger objects. Aims. We present photometric data of debris disks around HIP 103389 (HD199260), HIP 100350 (HN Peg, HD206860), and HIP 114948 (HD 219482), obtained in the context of our Herschel Open TIme Key Program DUNES (DUst around NEarby Stars). Methods. We used Herschel/PACS to detect the thermal emission of the three debris disks with a 30 sigma sensitivity of a few mJy at l00 micron and 160 micron. In addition, we obtained Herschel/PACS photometric data at 70 micron for HIP 103389. These observations are complemented by a large variety of optical to far-infrared photometric data. Two different approaches are applied to reduce the Herschel data to investigate the impact of data reduction on the photometry. We fit analytical models to the available spectral energy distribution (SED) data using the fitting method of simulated therma1 annealing as well as a classical grid search method. Results. The SEDs of the three disks potentially exhibit an unusually steep decrease at wavelengths >= 70 micron. We investigate the significance of the peculiar shape of these SEDs and the impact on models of the disks provided it is real. Using grain compositions that have been applied successfully for modeling of many other debris disks, our modeling reveals that such a steep decrease of the SEDs in the long wavelength regime is inconsistent with a power-law exponent of the grain size distribution -3.5 expected from a standard equilibrium collisional cascade. In contrast, a steep grain size distribution or, alternatively an upper grain size in the range of few tens of micrometers are implied. This suggests that a very distinct range of grain sizes would dominate the thermal. emission of such disks. However, we demonstrate that the understanding of the data of faint sources obtained with Herschel is still incomplete and that the significance of our results depends on the version of the data reduction pipeline used. Conclusions. A new mechanism to produce the dust in the presented debris disks, deviations from the conditions required for a standard equilibrium collisional cascade (grain size exponent of -3.5), and/or significantly different dust properties would be necessary to explain the potentially steep SED shape of the three debris disks presented.

Ertel, S.↗

NASA NTRS2022

Simultaneous Stoquasticity

Stoquastic Hamiltonians play a role in the computational complexity of the local Hamiltonian problem as well as the study of classical simulability. In particular, stoquastic Hamiltonians can be straightforwardly simulated using Monte Carlo techniques. We address the question of whether two or more Hamiltonians may be made simultaneously stoquastic via a unitary transformation. This question has important implications for the complexity of simulating quantum annealing where quantum advantage is related to the stoquasticity of the Hamiltonians involved in the anneal. We find that for almost all problems no such unitary exists and show that the problem of determining the existence of such a unitary is equivalent to identifying if there is a solution to a system of polynomial (in)equalities in the matrix elements of the initial and transformed Hamiltonians. Solving such a system of equations is NP-hard. We highlight a geometric understanding of this problem in terms of a collection of generalized Bloch vectors.

Jacob Bringewatt↗

NASA NTRSDate not supplied

Simultaneous Stoquasticity

Monte Carlo↗

DOE OSTI2025

Criticality and Magnetic Phases of Ising Shastry–Sutherland Candidate Holmium Tetraboride

Frustrated magnetic systems arising in geometrically constrained lattices represent rich platforms for exploring unconventional phases of matter, including fractional magnetization plateaus, incommensurate orders and complex domain dynamics. However, determining the microscopic spin configurations that stabilize such phases is a key challenge, especially when in-plane and out-of-plane spin components coexist and compete. Here, we combine neutron scattering and magnetic susceptibility experiments with simulations to investigate the emergence of field-induced fractional plateaus and the related criticality in a frustrated magnet holmium tetraboride (HoB 4 ) that represents the family of rare earth tetraborides that crystalize in a Shastry–Sutherland lattice in the ab plane. We focus on the interplay between classical and quantum criticality near phase boundaries, as well as the role of material defects in the stabilization of the ordered phases. We find that simulations using classical annealing can explain certain observed features in the experimental Laue diffraction and the origin of multiple magnetization plateaus. Our results show that defects and out-of-plane interactions play an important role and can guide the route towards resolving microscopic spin textures in highly frustrated magnets.

Frustration↗

DOE OSTI2025

Ancilla-entangling Floquet kicks for accelerating quantum algorithms

Quantum simulation with adiabatic annealing can provide insight into difficult problems that are impossible to study with classical computers. However, it deteriorates when the systems scale up due to the shrinkage of the excitation gap and thus places an annealing rate bottleneck for high success probability. Here, in this study, we accelerate quantum simulation using digital multiqubit gates that entangle primary system qubits with ancillary qubits. The practical benefits originate from tuning the ancillary gauge degrees of freedom to enhance the quantum algorithm's original functionality in the system registry. For simple but nontrivial short-ranged, infinite long-ranged transverse-field Ising models, and the hydrogen molecule model after qubit encoding, we show improvement in the time to solution by one hundred percent but with higher accuracy through exact state-vector numerical simulation in a digital-analog setting. The findings are further supported by time-averaged Hamiltonian theory.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2020

A Path Towards Quantum Advantage in Training Deep Generative Models with Quantum Annealing

A class of quantum-classical hybrid machine-learning algorithms can be obtained by integrating classical deep generative models with quantum probability distributions as 'priors' over their latent variables. We introduce a hybrid implementation of variational autoencoders (QVAE) and also present a technique to hybridize flow-based invertible generative models. We demonstrate the use of D-Wave quantum annealers as physical simulators of quantum Boltzmann machines (QBM) to perform quantum-assisted training of QVAE. Latent-space QBM develop slowly mixing modes, opening a path to obtain quantum advantage in generative modeling with available quantum devices.

Vinci, Walter↗

DOE OSTI2024

Molecular simulation using transfer-learned potentials for the disordered nanoscale structure of nitrogen-doped nanoporous carbons

Machine learning (ML)-based molecular dynamics (MD) simulations of the formation of a class of N-doped nanoporous carbons are performed to assess their disordered partially graphitized nanoscale structure. The study is motivated by the effectiveness of so-called nitrogen assembly carbons (NACs) for catalysis applications. Benchmark simulations for pure-C disordered graphitic systems reveal the importance of reliably capturing the vdW component of the potentials in order to accurately describe the tendency for layering of disordered graphene-like sheets. In our modeling, this is achieved by a transfer learning strategy incorporating features of the energetics from the optB88-vdW DFT functional into potentials initially trained with a less expensive functional, thereby providing a superior description of the pure-C systems. Generation from MD simulations of realistic partially graphitized structures is significantly more challenging for N-doped versus for pure C systems. However, such structures are achieved by a tailored MD simulation protocol mimicking the experimental synthesis process and in particular incorporating an annealing and subsequent quenching stages. Simulated PXRD patterns effectively reproduce the features of experimental observations for NACs, including the appearance of a prominent but broad (002) peak at around 25, and the development of another weaker feature associated with in-layer ordering of mixed C-N graphene-like sheets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Programmable exploration of magnetic states in Lieb-kagome interpolated lattices

We investigate a hybrid modeling framework in which a quantum annealer is used to simulate magnetic interactions in molecular qubit lattices inspired by experimentally realizable systems. Using phthalocyanine assemblies as a structurally constrained prototype, we model a continuous deformation from a Lieb to a kagome lattice, revealing frustration-driven disorder and magnetic field-induced reordering in the spin structure. Here, the goal is to show how a quantum annealer can operate as a physically instantiated, programmable platform to emulate experimentally relevant lattice deformations and produce observables in a manner analogous to an experimental measurement, enabling the characterization of magnetic arrangements beyond the reach of current molecular architectures. This surrogate modeling approach offers a pathway to explore and iteratively design tunable magnetic states in synthetic materials. The synthetic design, structural characterization, and quantum simulation framework established here defines a modular and scalable paradigm for probing the limits of engineered matter across chemistry, condensed matter, and quantum information science.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

NASA NTRS1985

Mechanical properties of Inconel 718 and Nickel 201 alloys after thermal histories simulating brazing and high temperature service

An experimental investigation was made to evaluate two nickel base alloys (Nickel-201 and Inconel-718) in three heat treated conditions. These conditions were: (1) annealed; (2) after thermal exposure simulating a braze cycle; and (3) after a thermal exposure simulating a braze cycle plus one operational lifetime of high temperature service. For the Nickel-201, two different braze cycle temperatures were evaluated. A braze cycle utilizing a lower braze temperature resulted in less grain growth for Nickel-201 than the standard braze cycle used for joining Nickel-201 to Inconel-718. It was determined, however, that Nickel-201, was marginal for temperatures investigated due to large grain growth. After the thermal exposures described above, the mechanical properties of Nickel-201 were degraded, whereas similar exposure on Inconel-718 actually strengthened the material compared with the annealed condition. The investigation included tensile tests at both room temperature and elevated temperatures, stress-rupture tests, and metallographic examination.

James, W. F.↗

NASA NTRS1970

Field-ion microscopy of Frank loops in platinum - Computer simulation and experimental observation

Various Frank loops in quenched and annealed Pt, examining dislocations with field ion microscopy and computer simulated approximations

Hren, J. J.↗

DOE OSTI2026

Primary defect production from molecular dynamics simulations of high-energy displacement cascades in NbMoTaW alloys

In this work, we report on large-scale molecular-dynamics (MD) simulations of displacement cascades in equiatomic NbMoTaW alloys at PKA energies ranging from 0.15 to 150 keV. We find defect production to be strongly dependent on recoil energy, scaling sublinearly up to 10 keV, and linearly thereafter. We find the sublinear regime to be defined by low values of surviving Frenkel pairs, typically found as isolated point defects or small defect clusters, while at higher recoil energies dense cascades become more frequent, leading to splitting into subcascades and the production of relatively large prismatic-dislocation loops with ⟨111⟩ and ⟨001⟩ Burgers vectors. These loops immobilize large fractions of defects, leading to a rapid growth of the number of surviving defects in the linear regime. We also anneal post-cascade defect configurations using object-kinetic Monte Carlo (OKMC) simulations to account for intracascade recombination on time scales not accessible to MD simulations. Cascade annealing is strongly temperature dependent, with the OKMC simulations only showing significant recovery at 1000 K but not below. Our results are in general agreement with existing published data for refractory concentrated alloys.

Zhou, Xinran [Lawrence Berkeley National Laborator↗

DOE OSTI2025

Considerations for Thermal Annealing of Zr-Alloy Cladding During Dry Storage

In January 2025, the U.S. Department of Energy (DOE) sponsored a technical workshop with fuel vendors that provided a forum for increased collaboration on backend fuel cycle research. The workshop reviewed observations of thermal annealing of irradiated zirconium alloys in simulated dry storage conditions and discussed implications to the industry’s interest in reducing wet storage to optimize operational flexibility and the expected trend of increasing discharge burnup (and decay heats), which could lead to an increase in dry storage temperatures. One approach to accommodate increased decay heats in dry storage is to increase the regulatory temperature limit during dry storage, which is now 400°C. However, this could lead to thermal annealing of the cladding, which will tend to increase creep rates, creep strains, and ductility while decreasing yield strength. These considerations are compounded by bonding between the pellet and cladding at high burnup, which results in the pellet carrying more load during fuel rod deformations, especially in bending, which is the dominant deformation phenomenon in canister drop analyses. Because the U.S. Nuclear Regulatory Commission (NRC) recommends yield strength as a primary failure criterion for accident analyses in storage and transportation, particularly for canister drop scenarios, the purpose of the workshop was to develop options for alternative failure criterion that could replace yield strength in canister drop analyses. Topics discussed were (1) the regulatory framework, (2) the effect of thermal annealing on microhardness and tensile properties of cladding materials, (3) the effect of thermal annealing on fuel rod failure during bending, bending fatigue, and pinch loading, and (4) an alternative failure criterion for canister drop analyses. This paper provides a summary of the key discussions and outcomes of the workshop

Cantonwine, Paul [ORNL] (ORCID:0009000522247033)↗