Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “linearization”

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.

At least 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Lessons to be learned from a contentious challenge to mainstream radiobiological science (the linear no-threshold theory of genetic mutations)

There are both statistically valid and invalid reasons why scientists with differing default hypotheses can disagree in high-profile situations. Examples can be found in recent correspondence in this journal, which may offer lessons for resolving challenges to mainstream science, particularly when adherents of a minority view attempt to elevate the status of outlier studies and/or claim that self-interest explains the acceptance of the dominant theory. Edward J. Calabrese and I have been debating the historical origins of the linear no-threshold theory (LNT) of carcinogenesis and its use in the regulation of ionizing radiation. Professor Calabrese, a supporter of hormesis, has charged a committee of scientists with misconduct in their preparation of a 1956 report on the genetic effects of atomic radiation. Specifically he argues that the report mischaracterized the LNT research record and suppressed calculations of some committee members. After reviewing the available scientific literature, I found that the contemporaneous evidence overwhelmingly favored a (genetics) LNT and that no calculations were suppressed. Calabrese's claims about the scientific record do not hold up primarily because of lack of attention to statistical analysis. Ironically, outlier studies were more likely to favor supra-linearity, not sub-linearity. Finally, the claim of investigator bias, which underlies Calabrese's accusations about key studies, is based on misreading of text. Attention to ethics charges, early on, may help seed a counter narrative explaining the community's adoption of a default hypothesis and may help focus attention on valid evidence and any real weaknesses in the dominant paradigm. - Highlights: • Edward J Calabrese has made a contentious challenge to mainstream radiobiological science. • Such challenges should not be neglected, lest they enter the political arena without review. • Key genetic studies from the 1940s, challenged by Calabrese, were found consistent and unbiased. • A 1956 genetics report did not hide estimates and does not need investigation for misconduct. • The scientific record was strong for a no-threshold, linear genetic response to radiation.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗
DOE OSTI2017

Kernel reconstruction methods for Doppler broadening — Temperature interpolation by linear combination of reference cross sections at optimally chosen temperatures

This paper establishes a new family of methods to perform temperature interpolation of nuclear interactions cross sections, reaction rates, or cross sections times the energy. One of these quantities at temperature T is approximated as a linear combination of quantities at reference temperatures (T j ). The problem is formalized in a cross section independent fashion by considering the kernels of the different operators that convert cross section related quantities from a temperature T 0 to a higher temperature T — namely the Doppler broadening operation. Doppler broadening interpolation of nuclear cross sections is thus here performed by reconstructing the kernel of the operation at a given temperature T by means of linear combination of kernels at reference temperatures (T j ). The choice of the L 2 metric yields optimal linear interpolation coefficients in the form of the solutions of a linear algebraic system inversion. The optimization of the choice of reference temperatures (T j ) is then undertaken so as to best reconstruct, in the L∞ sense, the kernels over a given temperature range [T min ,T max ]. The performance of these kernel reconstruction methods is then assessed in light of previous temperature interpolation methods by testing them upon isotope 238 U. Temperature-optimized free Doppler kernel reconstruction significantly outperforms all previous interpolation-based methods, achieving 0.1% relative error on temperature interpolation of 238 U total cross section over the temperature range [300 K,3000 K] with only 9 reference temperatures.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Encoding of linear kinetic plasma problems in quantum circuits via data compression

We propose an algorithm for encoding linear kinetic plasma problems in quantum circuits. The focus is on modelling electrostatic linear waves in a one-dimensional Maxwellian electron plasma. The waves are described by the linearized Vlasov–Ampère system with a spatially localized external current that drives plasma oscillations. This system is formulated as a boundary-value problem and cast in the form of a linear vector equation Aψ = b to be solved by using the quantum signal processing algorithm. The latter requires encoding of matrix A in a quantum circuit as a sub-block of a unitary matrix. We propose how to encode A in a circuit in a compressed form and discuss how the resulting circuit scales with the problem size and the desired precision.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Second Linear Response Theory and the Analytic Calculation of Excited-State Properties

We present a method based on second linear response time-dependent density func- tional theory (TDDFT) to calculate permanent and transition multipoles of excited states, which are required to compute excited-state absorption/emission spectra, multi- photon optical processes, among others. In previous work, we examined computations based on second linear response theory in which linear response TDDFT was employed twice. In contrast, the present methodology only requires information from a single linear response calculation to compute the excited-state properties. These are eval- uated analytically through various algebraic operations involving electron repulsion integrals and excitation vectors. The present derivation focuses on full many-body wave functions instead of single orbitals, as in our previous approach. Here, we test the proposed method by applying it to several diatomic and triatomic molecules. This shows that the computed excited-state dipoles are consistent with respect to reference equation-of-motion coupled cluster calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Separation of Linear and Cyclic Siloxanes in Pure Silica Zeolites

We present a computational assessment of pure-silica zeolites for separating linear and cyclic siloxanes. We developed a force field (FF) for pure silica zeolites, when combined with our previously developed FF for siloxanes using standard Lorentz–Berthelot combining rules, shows good agreement with dispersion-corrected density functional theory calculations. We used molecular dynamics simulations to investigate diffusion of siloxanes in pure silica zeolites and identified a pure silica zeolite with the structure code FAU that enables kinetic separation of linear and cyclic siloxanes. FAU allows the diffusion of linear siloxanes (L2–L6) while excluding cyclic siloxanes. D4 siloxane does not diffuse in any of the investigated zeolites, eliminating the potential of pure silica zeolites to achieve equilibrium-based separations of linear and cyclic siloxanes.

adsorption↗
DOE OSTI2017

Oxygen Vacancy Linear Clustering in a Perovskite Oxide

Oxygen vacancies have been implicitly assumed isolated ones, and understanding oxide materials possibly containing oxygen vacancies remains elusive within the scheme of the isolated vacancies, although the oxygen vacancies have been playing a decisive role in oxide materials. We report the presence of oxygen vacancy linear clusters and their orientation along a specific crystallographic direction in SrTiO 3 , a representative of a perovskite oxide. The presence of the linear clusters and associated electron localization was revealed by an electronic structure represented in the increase in the Ti 2+ valence state or corresponding Ti 3d 2 electronic configuration along with divacancy cluster model analysis and transport measurement. The orientation of the linear clusters along the [001] direction in perovskite SrTiO 3 was verified by further X-ray diffuse scattering analysis. And because SrTiO 3 is an archetypical perovskite oxide, the vacancy linear clustering with the specific aligned direction and electron localization can be extended to a wide variety of the perovskite oxides.

36 MATERIALS SCIENCE↗
DOE OSTI2015

The role of nanoparticle rigidity on the diffusion of linear polystyrene in a polymer nanocomposite

The impact of the inclusion of a nanoparticle in a polymer matrix on the dynamics of the polymer chains is an area of recent interest. In this article, we describe the role of nanoparticle rigidity or softness on the impact of the presence of that nanoparticle on the diffusive behavior of linear polymer chains. The neutron reflectivity results clearly show that the inclusion of 10 nm soft nanoparticles in a polymer matrix (R g ~ 20 nm) increases the diffusion coefficient of the linear polymer chain. Surprisingly, thermal analysis shows that these nanocomposites exhibit an increase in their glass transition temperature, which is incommensurate with an increase in free volume. Therefore, it appears that this effect is more complex than a simple plasticizing effect. Results from small-angle neutron scattering of the nanoparticles in solution show a structure that consists of a gel like core with a corona of free chain ends and loops. Furthermore, the increase in linear polymer diffusion may be related to an increase in constraint release mechanisms in the reptation of the polymer chain, in a similar manner to that which has been reported for the diffusion of linear polymer chains in the presence of star polymers.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Nanoparticle Motion in Entangled Melts of Linear and Nonconcatenated Ring Polymers [Nanoparticle Motion in Entangled Melts of Non-Concatenated Ring Polymers].

The motion of nanoparticles (NPs) in entangled melts of linear polymers and non-concatenated ring polymers are compared by large-scale molecular dynamics simulations. The comparison provides a paradigm for the effects of polymer architecture on the dynamical coupling between NPs and polymers in nanocomposites. Strongly suppressed motion of NPs with diameter d larger than the entanglement spacing a is observed in a melt of linear polymers before the onset of Fickian NP diffusion. This strong suppression of NP motion occurs progressively as d exceeds a, and is related to the hopping diffusion of NPs in the entanglement network. In contrast to the NP motion in linear polymers, the motion of NPs with d > a in ring polymers is not as strongly suppressed prior to Fickian diffusion. The diffusion coefficient D decreases with increasing d much slower in entangled rings than in entangled linear chains. NP motion in entangled non-concatenated ring polymers is understood through a scaling analysis of the coupling between NP motion and the self-similar entangled dynamics of ring polymers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Single-Molecule Conductance through Hybrid Radially and Linearly π-Conjugated Macromolecules Reveals an Unusual Intramolecular π-Interaction

We describe the design, synthesis, and single-molecule junction conductance of π-electron molecules bearing both radial and linear π-conjugation pathways, whereby cycloparaphenylene (CPP) radial cores are π-extended linearly with aryl alkyne substituents as models for previously reported CPP-arylene ethynylene conjugated polymers. Although radially and linearly conjugated molecules have been studied previously in isolation as junction-bridging molecular electronic units, this is the first study to examine molecules where both topologies are operative. Our results reveal that the presence of radial CPP components within the junction-spanning pathway leads to a reduction in the conductance of the backbone compared to model linear phenyl substituents. Through tight-binding and DFT-based calculations, we attribute this conductance change to intramolecular van der Waals (vdW) interactions between the CPP ring and the junction-spanning arylene-ethynylene molecular backbone. These interactions induce changes in the dihedral angles of the backbone, leading to a reduced overlap of π orbitals within the molecular junction.

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

Observation of the non-linear Meissner effect

A long-standing theoretical prediction is that in clean, nodal unconventional superconductors the magnetic penetration depth λ, at zero temperature, varies linearly with magnetic field. This non-linear Meissner effect is an equally important manifestation of the nodal state as the well studied linear-in-T dependence of λ, but has never been convincingly experimentally observed. Here we present measurements of the nodal superconductors CeCoIn 5 and LaFePO which clearly show this non-linear Meissner effect. We further show how the effect of a small dc magnetic field on λ(T) can be used to distinguish gap nodes from non-nodal deep gap minima. Our measurements of KFe 2 As 2 suggest that this material has such a non-nodal state.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Linear complexions enable unprecedented ductility retention in neutron irradiated ferritic steel

Herein, the operando formation of Si-enriched linear complexions during neutron irradiation enables Grade 91 ferritic steel to overcome the strength–ductility tradeoff, one of the most critical life-limiting challenges facing nuclear structural alloys. Linear complexions are a distinct yet confined chemical and structural state at a dislocation, which are rarely reported in engineering alloys. Ferritic steels are amongst the most ubiquitous engineering alloys for current and future nuclear components, but they are susceptible to irradiation hardening and embrittlement. Here, exceptional ductility retention exceeding 90% of pre-irradiation levels is obtained in Grade 91 synthesized using powder metallurgy with hot isostatic pressing (PM-HIP). Powder processing artifacts promote a high density of screw dislocation arrays, on which β-FeSi 2 linear complexions form due to Si segregation during irradiation. Screw dislocation dipoles undergo pinning and unpinning on linear complexions, resulting in extended yielding and significant ductility retention post-irradiation. These findings represent a significant advancement toward design of alloys and manufacturing processes that can autonomously self-regulate their microstructural resilience in-operando during irradiation, enabling exceptional ductility rather than embrittlement.

Chatterjee, Arya [University of Illinois, Urbana, ↗
DOE OSTI2015

Comparative study of microwave radiation-induced magnetoresistive oscillations induced by circularly- and linearly- polarized photo-excitation

A comparative study of the radiation-induced magnetoresistance oscillations in the high mobility GaAs/AlGaAs heterostructure two dimensional electron system (2DES) under linearly- and circularly- polarized microwave excitation indicates a profound difference in the response observed upon rotating the microwave launcher for the two cases, although circularly polarized microwave radiation induced magnetoresistance oscillations observed at low magnetic fields are similar to the oscillations observed with linearly polarized radiation. For the linearly polarized radiation, the magnetoresistive response is a strong sinusoidal function of the launcher rotation (or linear polarization) angle, θ. As a result, for circularly polarized radiation, the oscillatory magnetoresistive response is hardly sensitive to θ.

36 MATERIALS SCIENCE↗
DOE OSTI2017

The tracer diffusion coefficient of soft nanoparticles in a linear polymer matrix

The diffusion properties of nanoparticles in polymer nanocomposites are largely unknown and are often difficult to determine experimentally. To address this shortcoming, we have developed a novel method to determine the tracer diffusion coefficient of soft polystyrene nanoparticles in a linear polystyrene matrix. Monitoring the interdiffusion of soft nanoparticles into a linear polystyrene matrix provides the mutual diffusion coefficient of this system, from which the tracer diffusion coefficient of the soft nanoparticle can be determined using the slow mode theory. Utilizing this protocol, the role of nanoparticle molecular weight and rigidity on its tracer diffusion coefficient is provided. These results demonstrate that the diffusive behavior of these soft nanoparticles differ from that of star polymers, which is surprising since our recent studies suggest that the nanoparticle interacts with a linear polymer similarly to that of a star polymer. It appears that these deformable nanoparticles mostly closely mimic the diffusive behavior of fractal macromolecular architectures or microgels, where the transport of the nanoparticle relies on the cooperative motion of neighboring linear chains. Finally, the less cross-linked, and thus more deformable, nanoparticles diffuse faster than the more highly crosslinked nanoparticles, presumably because the increased deformability allows the nanoparticle to distort and fit into available space.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Derivation and verification of the direct-sampling method for simulating Monte Carlo flight paths in tetrahedral meshes with linear finite-element cross sections

This paper provides a derivation of a direct-sampling approach for modeling continuously varying cross sections in tetrahedral-mesh-based Monte Carlo codes. Specifically, cross sections are spatially approximated using linear nodal finite elements. A linearization strategy is provided for non-linearly varying cross sections. The method is verified against seven analytical pure-absorber test problems. These test problems also highlight the benefit of using linear finite elements over element-wise-constant cross sections.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Electronic nose with a new feature reduction method and a multi-linear classifier for Chinese liquor classification

An electronic nose (e-nose) was designed to classify Chinese liquors of the same aroma style. A new method of feature reduction which combined feature selection with feature extraction was proposed. Feature selection method used 8 feature-selection algorithms based on information theory and reduced the dimension of the feature space to 41. Kernel entropy component analysis was introduced into the e-nose system as a feature extraction method and the dimension of feature space was reduced to 12. Classification of Chinese liquors was performed by using back propagation artificial neural network (BP-ANN), linear discrimination analysis (LDA), and a multi-linear classifier. The classification rate of the multi-linear classifier was 97.22%, which was higher than LDA and BP-ANN. Finally the classification of Chinese liquors according to their raw materials and geographical origins was performed using the proposed multi-linear classifier and classification rate was 98.75% and 100%, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

High-efficiency acceleration in the laser wakefield by a linearly increasing plasma density

The acceleration length and the peak energy of the electron beam are limited by the dephasing effect in the laser wakefield acceleration with uniform plasma density. Based on 2D-3V particle in cell simulations, the effects of a linearly increasing plasma density on the electron acceleration are investigated broadly. Comparing with the uniform plasma density, because of the prolongation of the acceleration length and the gradually increasing accelerating field due to the increasing plasma density, the electron beam energy is twice higher in moderate nonlinear wakefield regime. Because of the lower plasma density, the linearly increasing plasma density can also avoid the dark current caused by additional injection. At the optimal acceleration length, the electron energy can be increased from 350 MeV (uniform) to 760 MeV (linearly increasing) with the energy spread of 1.8%, the beam duration is 5 fs and the beam waist is 1.25 μm. This linearly increasing plasma density distribution can be achieved by a capillary with special gas-filled structure, and is much more suitable for experiment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Towards time-dependent current-density-functional theory in the non-linear regime

Time-Dependent Density-Functional Theory (TDDFT) is a well-established theoretical approach to describe and understand irradiation processes in clusters and molecules. However, within the so-called adiabatic local density approximation (ALDA) to the exchange-correlation (xc) potential, TDDFT can show insufficiencies, particularly in violently dynamical processes. This is because within ALDA the xc potential is instantaneous and is a local functional of the density, which means that this approximation neglects memory effects and long-range effects. A way to go beyond ALDA is to use Time-Dependent Current-Density-Functional Theory (TDCDFT), in which the basic quantity is the current density rather than the density as in TDDFT. This has been shown to offer an adequate account of dissipation in the linear domain when the Vignale-Kohn (VK) functional is used. Here, we go beyond the linear regime and we explore this formulation in the time domain. In this case, the equations become very involved making the computation out of reach; we hence propose an approximation to the VK functional which allows us to calculate the dynamics in real time and at the same time to keep most of the physics described by the VK functional. We apply this formulation to the calculation of the time-dependent dipole moment of Ca, Mg and Na{sub 2}. Our results show trends similar to what was previously observed in model systems or within linear response. In the non-linear domain, our results show that relaxation times do not decrease with increasing deposited excitation energy, which sets some limitations to the practical use of TDCDFT in such a domain of excitations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

The effect of non-uniform mass loading on the linear, temporal development of particle-laden shear layers

The effect of non-uniformity in bulk particle mass loading on the linear development of a particle-laden shear layer is analyzed by means of a stochastic Eulerian-Eulerian model. From the set of governing equations of the two-fluid model, a modified Rayleigh equation is derived that governs the linear growth of a spatially periodic disturbance. Eigenvalues for this Rayleigh equation are determined numerically using proper conditions at the co-flowing gas and particle interface locations. For the first time, it is shown that non-uniform loading of small-inertia particles (Stokes number (St) <0.2) may destabilize the inviscid mixing layer development as compared to the pure-gas flow. The destabilization is triggered by an energy transfer rate that globally flows from the particle phase to the gas phase. For intermediate St (1 < St < 10), a maximum stabilizing effect is computed, while at larger St, two unstable modes may coexist. The growth rate computations from linear stability analysis are verified numerically through simulations based on an Eulerian-Lagrangian (EL) model based on the inviscid Euler equations and a point particle model. The growth rates found in numerical experiments using the EL method are in very good agreement with growth rates from the linear stability analysis and validate the destabilizing effect induced by the presence of particles with low St.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗