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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 1,495 records · Page 83
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Reduced order models for thermal radiative transfer problems based on moment equations and data-driven approximations of the Eddington tensor

Here a new group of structure and asymptotic preserving reduced-order models (ROMs) for multidimensional nonlinear thermal radiative transfer (TRT) problems is presented. They are formulated by means of the nonlinear projective approach and data compression techniques. The nonlinear projection is applied to the Boltzmann transport equation (BTE) to derive a hierarchy of low-order moment equations. Approximation of the Eddington tensor that provides exact closure for the system of moment equations is found with projection-based data-driven methodologies. These include the (i) proper orthogonal decomposition (POD), (ii) dynamic mode decomposition (DMD) and (iii) a variant of the DMD. A parameterization is derived for this ROM for the temperature of radiation incoming to the problem domain (the radiation drive temperature). This parameterization is informed from results of a dimensionless study of the TRT problem. Analysis of the ROMs is performed on the classical Fleck-Cummings TRT multigroup test problem in 2D geometry with a radiation-driven Marshak wave. Numerical results are presented to demonstrate the performance of these ROMs for the simulation of evolving radiation and heat waves. Results show these models to be sufficiently accurate for practical computations with rather low-rank representations of the Eddington tensor. As the rank of the approximation is increased, the errors of solutions generated by the ROMs gradually decreases.

42 ENGINEERING↗
DOE OSTI2022

Low-Frequency Oscillations in Optical Measurements of Metal-Nanoparticle Vibrations

Time-resolved optical measurements of vibrating metal nanoparticles have been used extensively to probe the ultrafast mechanical properties of the nanoparticles and of the surrounding liquid, but nearly all investigations so far have been limited to the linear regime. Herein, we report the observation of a low-frequency oscillating signal in transient-absorption measurements of nanoparticles with octahedral gold cores and cubic silver shells; the signal appears at the difference of two mechanical vibrational frequencies in the particles, suggesting a nonlinear mixing process. We tentatively attribute this proposed mixing to a nonlinear coupling between a vibrational mode of the nanoparticle and its optical-frequency plasmon resonance. The optimization of this nonlinear transduction may enable high-efficiency opto-mechanical frequency mixing in the GHz-THz frequency regime.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Strong-Field Control of Plasmonic Properties in Core–Shell Nanoparticles

Utilization of the plasmonic response in nanosystems is a key component of nanophotonics that is typically altered by varying the incident optical frequency or the material configuration. However, in this work we demonstrate that employing intense, femtosecond laser fields unlock nonlinear light–matter interactions such that precise control of the optical response is achieved solely by adjusting the incident intensity. The plasmonic properties of Au/SiO 2 nanoshells are manipulated by exploiting the nonlinear index of refraction of gold and experimentally observed by employing photoelectrons emitted during the interaction as a sensitive, sub-wavelength probe. A striking transition seen in the photoelectron energy spectrum between the weak and strong-field regime is verified by a modified Mie theory simulation that incorporates the nonlinear dielectric nanoshell response. The exhibited intensity-dependent optical control of the plasmonic response in prototypical core–shell nanoparticles paves the way toward ultrafast switching and opto-electronic signal modulation with more complex nanostructures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Probing the Damage Zone at Parkfield

Rocks are heterogeneous materials that exhibit nonlinear elastic (anelastic) behavior at scales ranging from the laboratory to Earth. In the laboratory, typical, complex relationships exist between stress and strain that include hysteresis, finite relaxation times, strain rate, and history dependence. These behaviors are linked to important characteristics such as stress, porosity, permeability, material integrity, and material failure. In this work, we adopted a “pump-probe” type experiment common in laboratory studies, using solid earth tides as the low-frequency pump and empirical Green's function as the high-frequency probe. By probing the velocity at different points in the pump cycle, we constrained important information about the strain-modulus relationship. Near the San Andreas Fault, we observed strongly nonlinear elastic behavior that characterizes the damage zone. We also constrained important aspects of hysteretic behavior that are related to damage properties and possibly pore pressure. Away from the fault, the nonlinear behavior is diminished.

58 GEOSCIENCES↗
DOE OSTI2021

Does Regional Hydroclimate Change Scale Linearly With Global Warming?

Many aspects of climate change scale linearly with global warming. However, nonlinear changes are possible, especially in the context of hydroclimate, and under emissions scenarios with stabilized global temperature, as aspired to by current climate targets. In CMIP5 and 6, a progressively larger land area shows nonlinear changes as a function of global warming when considering precipitation, evaporation, and soil moisture, with the latter showing nonlinearity over ~50% of global land. Here, using ensemble simulations with the Community Earth System Model 1, in which individual forcing factors are held constant, we illustrate how nonadditive responses to anthropogenic greenhouse gases and industrial and fire-related aerosols can yield complex soil moisture changes in certain regions. This complexity contributes to uncertainty in regional soil moisture projections and suggests that the timing of, as well as model response uncertainty to, future aerosol reductions will have significant impacts on regional hydroclimate change as global temperatures stabilize.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Analytical and numerical modeling of optical second harmonic generation in anisotropic crystals using #SHAARP package

Electric-dipole optical second harmonic generation (SHG) is a second-order nonlinear process that is widely used as a sensitive probe to detect broken inversion symmetry and local polar order. Analytical modeling of the SHG polarimetry of a nonlinear optical material is essential to extract its point group symmetry and the absolute nonlinear susceptibilities. Current literature on SHG analysis involves numerous approximations and a wide range of (in)accuracies. We have developed an open-source package called the Second Harmonic Analysis of Anisotropic Rotational Polarimetry (#SHAARP.si) which derives analytical and numerical solutions of reflection SHG polarimetry from a single interface (.si) for bulk homogeneous crystals with arbitrary symmetry group, arbitrary crystal orientation, complex and anisotropic linear dielectric tensor with frequency dispersion, a general SHG tensor and arbitrary light polarization. #SHAARP.si enables accurate modeling of polarimetry measurements in reflection geometry from highly absorbing crystals or wedge-shaped transparent crystals. The package is extendable to multiple interfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Towards Floquet Chern insulators of light

Topological photonics explores photonic systems that exhibit robustness against defects and disorder, enabled by protection from underlying topological phases. These phases are typically realized in linear optical systems and characterized by their intrinsic photonic band structures. Here we experimentally study Floquet Chern insulators in periodically driven nonlinear photonic crystals, where the topological phase is controlled by the polarization and the frequency of the driving field. Our transient sum-frequency generation measurements reveal strong hybridization of the Floquet photonic bands. The measured spectrum remains gapless under a linearly polarized drive but becomes gapped under a circularly polarized drive. Theoretical analysis confirms that the Floquet gap is topological, characterized by a non-zero Chern number—a consequence of time-reversal symmetry breaking induced by the circularly polarized driving field. Furthermore, this work offers opportunities to explore the role of classical optical nonlinearity in topological phases and their applications in nonlinear optoelectronics.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Second-harmonic generation tensors from high-throughput density-functional perturbation theory

Optical materials play a key role in enabling modern optoelectronic technologies in a wide variety of domains such as the medical or the energy sector. Among them, nonlinear optical crystals are of primary importance to achieve a broader range of electromagnetic waves in the devices. However, numerous and contradicting requirements significantly limit the discovery of new potential candidates, which, in turn, hinders the technological development. In the present work, the static nonlinear susceptibility and dielectric tensor are computed via density-functional perturbation theory for a set of 579 inorganic semiconductors. The computational methodology is discussed and the provided database is described with respect to both its data distribution and its format. Several comparisons with both experimental and ab initio results from literature allow to confirm the reliability of our data. The aim of this work is to provide a relevant dataset to foster the identification of promising nonlinear optical crystals in order to motivate their subsequent experimental investigation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

The role of collective elasticity on activated structural relaxation, yielding, and steady state flow in hard sphere fluids and colloidal suspensions under strong deformation

In this work, we theoretically study the effect of external deformation on activated structural relaxation and aspects of the nonlinear mechanical response of glassy hard sphere fluids in the context of elastically collective nonlinear Langevin equation theory. This microscopic force-based approach describes activated relaxation as a coupled local–nonlocal event involving caging and longer range collective elasticity, with the latter becoming more important and ultimately dominant with increasing packing fraction under equilibrium conditions. The central new question we address is how this physical picture of activated relaxation, and the relative importance of local caging vs collective elasticity physics, depends on external deformation. Theoretical predictions are presented for deformation-induced enhancement of mobility, the onset of relaxation speed up at remarkably low values of stress, strain, or shear rate, apparent power law thinning of the steady state structural relaxation time and viscosity, a non-vanishing activation barrier in the shear thinning regime, an apparent Herschel–Bulkley form of the rate dependence of the steady state shear stress, exponential growth of different measures of a dynamic yield or flow stress with the packing fraction, and reduced fragility and dynamic heterogeneity under deformation. The results are contrasted with experiments and simulations, and qualitative or better agreement is found. An overarching conclusion is that deformation strongly reduces the importance of longer range collective elastic effects relative to the local caging aspect for most, but not all, physical questions, with deformation-dependent fragility and dynamic heterogeneity phenomena being qualitatively sensitive to collective elasticity. Overall, nonlinear rheology is predicted to be a more local problem than quiescent structural relaxation, albeit with deformation-modified activated processes still important.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Probing the ultrafast gain and refractive index dynamics of a VECSEL

Typically, strong gain saturation and gain dynamics play a crucial role in semiconductor laser mode-locking. While there have been several investigations of the ultrafast gain dynamics in vertical-external-cavity surface-emitting lasers (VECSELs), little is known about the associated refractive index changes. Yet, such refractive index changes do not only have a profound impact on the pulse formation process leading to self-phase modulation, which needs to be compensated by dispersion, but they are also of particular relevance for assessing the feasibility of Kerr-lens mode-locking of VECSELs. Here, we measure both refractive index as well as gain dynamics of a VECSEL chip using the ultrafast beam deflection method. We find that, in contrast to the gain dynamics, the refractive index dynamics is dominated by an instantaneous (100 fs) and a very slow component (100 ps). The time-resolved measurement of nonlinear refraction allows us to predict a pulse-length dependent, effective nonlinear refractive index n 2,eff , which is shown to be negative and on the order of 10 -16 m 2 =W for short pulse lengths (100 fs). It becomes positive for large excitation fluences and large pulse lengths (few ps). These results agree with some previous reports of self-mode-locked VECSELs for which the cavity design and pulse properties determine sign and strength of the nonlinear refractive index when assuming Kerr-lens mode-locking.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Classifying photonic topology using the spectral localizer and numerical K -theory

Recently, the spectral localizer framework has emerged as an efficient approach for classifying topology in photonic systems featuring local nonlinearities and radiative environments. In nonlinear systems, this framework provides rigorous definitions for concepts such as topological solitons and topological dynamics, where a system’s occupation induces a local change in its topology due to nonlinearity. For systems embedded in radiative environments that do not possess a shared bulk spectral gap, this framework enables the identification of local topology and shows that local topological protection is preserved despite the lack of a common gap. However, as the spectral localizer framework is rooted in the mathematics of C*-algebras, and not vector bundles, understanding and using this framework requires developing intuition for a somewhat different set of underlying concepts than those that appear in traditional approaches for classifying material topology. In this tutorial, we introduce the spectral localizer framework from a ground-up perspective and provide physically motivated arguments for understanding its local topological markers and associated local measure of topological protection. In doing so, we provide numerous examples of the framework’s application to a variety of topological classes, including crystalline and higher-order topology. We then show how Maxwell’s equations can be reformulated to be compatible with the spectral localizer framework, including the possibility of radiative boundary conditions. To aid in this introduction, we also provide a physics-oriented introduction to multi-operator pseudospectral methods and numerical K-theory, two mathematical concepts that form the foundation for the spectral localizer framework. Finally, we provide some mathematically oriented comments on the C*-algebraic origins of this framework, including a discussion of real C*-algebras and graded C*-algebras that are necessary for incorporating physical symmetries. Looking forward, we hope that this tutorial will serve as an approachable starting point for learning the foundations of the spectral localizer framework.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2025

An eigenvalue-based method for computing the relaxed pressure in compressible multiphase flow with N phases

The modeling of compressible multiphase flows is a decades-old area of study with many applications across various fields. Many of these application areas use stiff pressure relaxation. This process involves the solution of a nonlinear system with N + 1 equations and N + 1 unknowns, where N is the number of phases. The resolution of this system with general equations of state (EOSs) is difficult. Furthermore, nonlinear systems can admit multiple solutions, and current solution methods do not address this possibility. Very recently, a thermodynamic relaxation method was introduced, which effectively maps a relatively simple predictor equation of state onto a more complex target equation of state. In this context, the target EOSs are the chosen EOSs for the thermodynamic model. Furthermore, this thermodynamic relaxation has the benefit of simplifying the stiff pressure relaxation system of equations. In this article, we show this system reduces to a polynomial of degree N, which can be recast as an eigenvalue problem through the use of the associated companion matrix. We show that although this eigenvalue method is generally less efficient than Newton–Raphson iteration, it does not suffer from convergence issues and finds all N roots of the polynomial. Hence, the method provides a fail-safe for root-finding iterative methods and a way to address the issue of multiple solutions to the nonlinear system of equations in stiff pressure relaxation.

Eigenvalue algorithm↗
DOE OSTI2026

Enhanced second-harmonic generation from WS 2 /ReSe 2 heterostructure

Van der Waals stacking presents new opportunities for nonlinear optics with its remarkable tunability and scalability. However, the fundamental role of interlayer interactions in modifying the overall nonlinear optical susceptibilities remains elusive. In this work, we report anisotropic enhancement of second-harmonic generation (SHG) from a WS 2 /ReSe 2 heterobilayer, where the individual composite layers possess distinctive crystal phases. We investigate polarization-resolved response and twist-angle dependence in SHG and reveal that band alignment alone is insufficient to explain the observed anisotropy in the modified SHG response. Spectral shifts in excitonic features highlight band renormalization, supporting the role of hybridization between the two layers. Furthermore, SHG enhancement is highly anisotropic and can even be suppressed in some orientations, suggesting possible intensity-borrowing mechanisms within the heterostructure. Our work demonstrates the ability to tune both the intensity and polarization dependence of nonlinear optical responses with van der Waals stacking of distinctive crystal phases.

2D materials↗
DOE OSTI2020

Degradation of the contrast of a short light pulse in a CPA system

We have calculated the effect of four-wave mixing of the main radiation pulse with the background radiation components on the value of the output radiation contrast in a chirped pulse amplification system of petawatt laser facilities. Formulae are presented that make it possible to quantify the contributions of two mechanisms, i.e. Kerr nonlinearity of the refractive index of the amplifying medium and gain saturation. For typical values of the nonlinear refractive index, both contributions are comparable. The possibility of mutual quenching of nonlinear contributions is noted. The influence of spectral filtering of radiation on the output pulse contrast is considered. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Interference in between the acts of pre- and postselection

As an alternative approach for measuring the weak effects associated with the artificial preparation of rare events in quantum metrology, we propose the study of the interference pattern generated by acts of pre- and postselection of a quantum system. An example of two Mach – Zehnder interferometers connected by a cross-Kerr nonlinearity is considered. Postselection of photon states at the output of one of the interferometers and the application of a controlled phase shift in one of its arms induces interference phenomena in the photodetection statistics at the output of the second interferometer. The nonlinearity parameter determines the shift and width of the structures in the interference pattern. The main features of this pattern are studied depending on the magnitude of the Kerr nonlinearity and the number of photons at the input of the interferometers. (paper)

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Probability of Initiation in Neutron Transport

We discuss the numerical solution of the nonlinear integro-differential equation for the probability of a divergent neutron chain in a stationary system (i.e., the probability of initiation (POI)). We follow the development described in Bell’s classic paper on the stochastic theory of neutron transport. As noted by Bell, the linearized form of this equation resembles the linear adjoint neutron transport equation. A matrix formalism for the discretized steady state (or forward) neutron equation in slab geometry is first developed and is then used to derive the discrete adjoint equation. A main advantage of this discrete development is that the resulting discrete adjoint equation does not depend upon how the multigroup cross sections for the forward problem are obtained. That is, we derive the discrete adjoint directly from the discrete forward equations rather than discretizing directly the adjoint equation. This also guarantees that the discrete adjoint operator is consistent with the inner product used to define the adjoint operator. We discuss three approaches for the numerical solution of the POI equations, and present numerical results on several test problems. The three solution methods are a simple fixed-point iteration, a second approach that is akin to a nonlinear Power iteration, and a third approach which uses a Newton-Krylov nonlinear solver. We also give sufficient conditions to guarantee the existence and uniqueness of nontrivial solutions to our discrete POI equations when the discrete system is supercritical, and that only the trivial solution exists when the discrete system is subcritical. Our approach is modeled after the analysis presented for the continuous POI equations by Mokhtar-Kharroubi and Jarmouni-Idrissi, and by Pazy and Rabinowitz.

42 ENGINEERING↗
DOE OSTI2025

Perturbative model for the saturation of energetic-particle-driven modes limited by self-generated zonal modes

We present a simplified energy-conserving approach to incorporate wave–wave nonlinear effects within the framework commonly used to describe wave–particle nonlinearities. In particular, the effects of zonal mode (ZM) generation on the determination of the saturation amplitude of energetic particle (EP)-driven Alfvénic instabilities is studied. The model assumes that the zonal perturbations grow at a rate twice that of the original (pump) wave, consistent with a beat-driven (or force-driven) generation mechanism. The evolution and saturation of the mode amplitude are investigated both analytically and numerically within our reduced model assumptions, in both the collisionless and scattering-dominated regimes. These studies underscore the crucial role of sources and sinks in capturing the impact and the role of beat-driven zonal perturbations on mode evolution. In the realistic case of saturation set by sources and sinks, we discuss the role of a finite amplitude ZM in reducing microturbulent particle scattering, thus limiting the energy source for the resonant mode. We then discuss comparisons between the model’s predictions and simulation results. The model reproduces key features observed in gyrokinetic simulations as the reduction in saturated mode amplitude and the onset of wave–wave nonlinear effects as functions of mode growth rate and amplitude. Thanks to its simplicity, it can be readily implemented into codes based on reduced models, thereby improving their predictive capability for strongly driven instabilities.

Alfvén eigenmodes↗
DOE OSTI2025

High harmonic generation in Haldane model quantum dots

We study theoretically the nonlinear electron dynamics of Haldane model quantum dots placed in the field of an ultrashort optical pulse. One of the tuning parameters of the Haldane model is the phase accumulated by an electron during its transfer between the next nearest neighbor sites. We study how this parameter affect the nonlinear electron dynamics and the generation of high optical harmonics. With increasing the phase from its zero value to 90°, the low-energy electron states in the conduction and valence bands become more localized near the edges of the quantum dot resulting in suppression of the band gap, enhancement of the dipole inter-band coupling, and strong suppression of the average low-energy electron density of the states. As a result, the nonlinear response of the electron system of a Haldane model quantum dot is the strongest at intermediate values of the phase, ≈ 30− 40°. At these values of the phase, the electron dynamics is irreversible and a few first high-order harmonics have the largest intensities. Here, when the phase approaches 90° value the generation of high harmonics is strongly suppressed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗