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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Linear and nonlinear rheology and structural relaxation in dense glassy and jammed soft repulsive pNIPAM microgel suspensions

We present an integrated experimental and quantitative theoretical study of the mechanics of self-crosslinked, slightly charged, repulsive pNIPAM microgel suspensions over a very wide range of concentrations (c) that span the fluid, glassy and putative “soft jammed” regimes. In the glassy regime we measure a linear elastic dynamic shear modulus over 3 decades which follows an apparent power law concentration dependence G' ~ c 5.64 , a variation that appears distinct from prior studies of crosslinked ionic microgel suspensions. At very high concentrations there is a sharp crossover to a nearly linear growth of the modulus. To theoretically understand these observations, we formulate an approach to address all three regimes within a single conceptual Brownian dynamics framework. A minimalist single particle description is constructed that allows microgel size to vary with concentration due to steric de-swelling effects. Using a Hertzian repulsion interparticle potential and a suite of statistical mechanical theories, quantitative predictions under quiescent conditions of microgel collective structure, dynamic localization length, elastic modulus, and the structural relaxation time are made. Based on a constant inter-particle repulsion strength parameter which is determined by requiring the theory to reproduce the linear elastic shear modulus over the entire concentration regime, we demonstrate good agreement between theory and experiment. Testable predictions are then made. We also measured nonlinear rheological properties with a focus on the yield stress and strain. A theoretical analysis with no adjustable parameters predicts how the quiescent structural relaxation time changes under deformation, and how the yield stress and strain change as a function of concentration. Reasonable agreement with our observations is obtained. To the best of our knowledge, this is the first attempt to quantitatively understand structure, quiescent relaxation and shear elasticity, and nonlinear yielding of dense microgel suspensions using microscopic force based theoretical methods that include activated hopping processes. Here, we expect our approach will be useful for other soft polymeric particle suspensions in the core–shell family.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Renewable linear alpha-olefins by base-catalyzed dehydration of biologically-derived fatty alcohols

In this work, base catalysts were studied for the dehydration of fatty alcohols to linear alpha olefins (LAOs). For the dehydration of 1-octanol to 1-octene, 15%Cs/SiO 2 catalyst was 56% selective at 10% conversion. Diluting a feed of C 8 , C 10 , and C 14 fatty alcohols to 50% in undecane increased the selectivity to alpha olefins to 77-99%. 15%Cs/SiO 2 was further investigated for the dehydration of a 4.2 g/L mixed C 8 -C 14 fatty alcohol in tridecane feed and showed linear alpha olefin selectivities of 78-100% at initial conversions of 51-91% with the conversion lowering to 32-77% over 30 h. Catalytic activity was totally regenerated through calcination. A feed of biologically derived alcohols was produced with E. coli strain CM24 transformed with three plasmids (pBTRCk – pVHb – maACR, pACYC – pVHb – seFadBA, pTRC99A – pVHb – tdTER – fdh) which yielded a 5.5 g/L of C 8 -C 14 fatty alcohol in tridecane. This biologically-derived feed was successfully dehydrated to linear alpha olefins over 15%Cs/SiO 2 at selectivities of 60-100% with initial conversions of 35-75% which decreased to 22-55% over 30 h. Techno-economic analysis (TEA) of the integrated process for fatty alcohol production and subsequent dehydration to alpha olefins was conducted across the potential fermentation TRY (titer, rate, yield) landscape. Baseline fermentation performance resulted in a minimum product selling price (MPSP) double the market price for LAOs due to low titers and high costs associated with managing water and tridecane solvent flows through the system. However, targeted improvements in fermentation performance (e.g., achieving 40 g/L titer, 0.5 g/L/h productivity, 80% theoretical yield) can enable financially viable production of biologically derived LAOs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Uncovering the linear boron environment in Na 3 BP 2 through solid-state 11 B NMR spectroscopy

Boron-based compounds exhibit a wide range of structural diversity, with potential applications spanning organic and inorganic chemistry. Herein, we focus on the characterization of the linear boron-phosphorus unit P═B═P in Na 3 BP 2 using solid-state nuclear magnetic resonance (ssNMR) spectroscopy and density functional theory (DFT) calculations. High-resolution 11 B ssNMR spectra were recorded at two fields, and key parameters such as chemical shift anisotropy (CSA), quadrupolar coupling constants (C Q ), and electric field gradient (EFG) tensors were extracted. The 11 B NMR results revealed a distinct chemical environment for the two-coordinate boron atom, with a CSA span (Ω) of 280 ppm and a C Q of 3.0 MHz. These values were further validated through periodic plane-wave DFT calculations, which showed good agreement with experimental results. The obtained spectral parameters are compared to other linear boron units, such as the BO 2 motif, providing a broader context for understanding boron coordination in inorganic compounds. This work expands the body of NMR knowledge on boron-containing materials, particularly for linear boron motifs. The findings contribute to the growing field of boron chemistry and its potential applications in advanced materials.

Porter, Andrew P. [Ames Laboratory (AMES), Ames, I↗
DOE OSTI2020

A brief note on the properties of linear pathways

Linear metabolic pathways are the simplest network architecture we find in metabolism and are a good starting point to gain insight into the operating principles of metabolic control. Linear pathways possess some well-known properties, such as a bias of flux control towards the first few steps of the pathway as well as the lack of flux control at reactions close to equilibrium. In both cases, a rationale for these behaviors is given in terms of how elasticities transmit changes through a pathway. A discussion is given on the fundamental role that two reaction step sections play in a linear pathway when transmitting changes. For a pathway with irreversible steps, the deconstruction is straight forward and includes a product of local response coefficients that cascade along the pathway. When reversibility is included, the picture became more complex but a relationship in terms of the local response coefficients if derived that includes the reverse response coefficients and highlights the interplay between the forward and backward transmission of changes during a perturbation.

Biochemistry & Molecular Biology↗
DOE OSTI2023

A Mixed integer linear programming‐based distributed energy management for networked microgrids considering network operational objectives and constraints

Abstract Mixed integer linear programming (MILP)–based distributed energy management for networked microgrids embedded modern distribution systems is proposed. Considering the diverse ownership of microgrids, distributed energy resources (DERs) that interface directly with utilities and responsive loads, an alternating direction method of multipliers–based distributed framework was formulated for the scheduling of networked microgrids embedded modern distribution systems by adjusting nodal price signals iteratively. In addition, to make the formulated optimization problems resolvable through more accessible and popular MILP solvers, different linearisation techniques were employed to transform the nonlinear terms into linear or mixed integer linear formats. The proposed MILP‐based distributed method preserves all participants' autonomy (e.g., microgrids, DERs that interface directly with utilities and responsive loads), while incentivising them to actively participate in the distribution system operation with price signals. The proposed method is validated with results of numerical simulation using a modern distribution system consisting of multiple networked microgrids, DERs that interface directly with utilities, as well as responsive loads.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

ForestFlow: predicting the Lyman-α forest clustering from linear to nonlinear scales

On large scales, the Lyman-α forest provides insights into the expansion history of the Universe, while on small scales, it imposes strict constraints on the growth history, the nature of dark matter, and the sum of neutrino masses. This work introduces ForestFlow, a novel framework that bridges the gap between large- and small-scale analyses, which have traditionally relied on distinct modeling approaches. Using conditional normalizing flows, ForestFlow predicts the two Lyman-α linear biases (b δ and b η ) and six parameters describing small-scale deviations of the three-dimensional flux power spectrum (P 3D ) from linear theory as a function of cosmology and intergalactic medium physics. These are then combined with a Boltzmann solver to make consistent predictions, from arbitrarily large scales down to the nonlinear regime, for P 3D and any other statistics derived from it. Trained on a suite of 30 fixed-and-paired cosmological hydrodynamical simulations spanning redshifts from z = 2 to 4.5, ForestFlow achieves 3 and 1.5% precision in describing P 3D and the one-dimensional flux power spectrum (P 1D ) from linear scales to k = 5 Mpc −1 and k ∥ = 4 Mpc −1 , respectively. Thanks to its conditional parameterization, ForestFlow shows similar performance for ionization histories and two ΛCDM model extensions – massive neutrinos and curvature – even though none of these are included in the training set. This framework will enable full-scale cosmological analyses of Lyman-α forest measurements from the DESI survey.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

Reversibility of a quantum channel: General conditions and their applications to Bosonic linear channels

The method of complementary channel for analysis of reversibility (sufficiency) of a quantum channel with respect to families of input states (pure states for the most part) are considered and applied to Bosonic linear (quasi-free) channels, in particular, to Bosonic Gaussian channels. The obtained reversibility conditions for Bosonic linear channels have clear physical interpretation and their sufficiency is also shown by explicit construction of reversing channels. The method of complementary channel gives possibility to prove necessity of these conditions and to describe all reversed families of pure states in the Schrodinger representation. Some applications in quantum information theory are considered. Conditions for existence of discrete classical-quantum subchannels and of completely depolarizing subchannels of a Bosonic linear channel are presented.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Linear-scaling calculation of Hartree-Fock exchange energy with non-orthogonal generalised Wannier functions

We present a method for the calculation of four-centre two-electron repulsion integrals in terms of localised non-orthogonal generalised Wannier functions (NGWFs). Our method has been implemented in the ONETEP program and is used to compute the Hartree-Fock exchange energy component of Hartree-Fock and Density Functional Theory (DFT) calculations with hybrid exchange-correlation functionals. As the NGWFs are optimised in situ in terms of a systematically improvable basis set which is equivalent to plane waves, it is possible to achieve large basis set accuracy in routine calculations. The spatial localisation of the NGWFs allows us to exploit the exponential decay of the density matrix in systems with a band gap in order to compute the exchange energy with a computational effort that increases linearly with the number of atoms. We describe the implementation of this approach in the ONETEP program for linear-scaling first principles quantum mechanical calculations. We present extensive numerical validation of all the steps in our method. Furthermore, we find excellent agreement in energies and structures for a wide variety of molecules when comparing with other codes. We use our method to perform calculations with the B3LYP exchange-correlation functional for models of myoglobin systems bound with O{sub 2} and CO ligands and confirm that the same qualitative behaviour is obtained as when the same myoglobin models are studied with the DFT+U approach which is also available in ONETEP. Finally, we confirm the linear-scaling capability of our method by performing calculations on polyethylene and polyacetylene chains of increasing length.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Large linear magnetoresistance in a GaAs/AlGaAs heterostructure

We report non-saturating linear magnetoresistance (MR) in a two-dimensional electron system (2DES) at a GaAs/AlGaAs heterointerface in the strongly insulating regime. We achieve this by driving the gate voltage below the pinch-off point of the device and operating it in the non-equilibrium regime with high source-drain bias. Remarkably, the magnitude of MR is as large as 500% per Tesla with respect to resistance at zero magnetic field, thus dwarfing most non-magnetic materials which exhibit this linearity. Its primary advantage over most other materials is that both linearity and the enormous magnitude are retained over a broad temperature range (0.3 K to 10 K), thus making it an attractive candidate for cryogenic sensor applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Tunnel current across linear homocatenated germanium chains

The electronic transport properties of germanium oligomers catenating into linear chains (linear Ge chains) have been theoretically studied using first principle methods. The conduction mechanism of a Ge chain sandwiched between gold electrodes was analyzed based on the density of states and the eigenstates of the molecule in a two-probe environment. Like that of silicon chains (Si chains), the highest occupied molecular orbital of Ge chains contains the extended σ-conjugation of Ge 4p orbitals at energy levels close to the Fermi level; this is in contrast to the electronic properties of linear carbon chains. Furthermore, the conductance of a Ge chain is expected to decrease exponentially with molecular length L. The decay constant β, which is defined as e{sup −βL}, of a Ge chain is similar to that of a Si chain, whereas the conductance of the Ge chains is higher than that of Si chains even though the Ge–Ge bond length is longer than the Si–Si bond length.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Non-linear dynamic characteristics and optimal control of giant magnetostrictive film subjected to in-plane stochastic excitation

The non-linear dynamic characteristics and optimal control of a giant magnetostrictive film (GMF) subjected to in-plane stochastic excitation were studied. Non-linear differential items were introduced to interpret the hysteretic phenomena of the GMF, and the non-linear dynamic model of the GMF subjected to in-plane stochastic excitation was developed. The stochastic stability was analysed, and the probability density function was obtained. The condition of stochastic Hopf bifurcation and noise-induced chaotic response were determined, and the fractal boundary of the system's safe basin was provided. The reliability function was solved from the backward Kolmogorov equation, and an optimal control strategy was proposed in the stochastic dynamic programming method. Numerical simulation shows that the system stability varies with the parameters, and stochastic Hopf bifurcation and chaos appear in the process; the area of the safe basin decreases when the noise intensifies, and the boundary of the safe basin becomes fractal; the system reliability improved through stochastic optimal control. Finally, the theoretical and numerical results were proved by experiments. The results are helpful in the engineering applications of GMF.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Experimental study of linear and nonlinear regimes of density-driven instabilities induced by CO{sub 2} dissolution in water

Density driven instabilities produced by CO{sub 2} (gas) dissolution in water containing a color indicator were studied in a Hele Shaw cell. The images were analyzed and instability patterns were characterized by mixing zone temporal evolution, dispersion curves, and the growth rate for different CO{sub 2} pressures and different color indicator concentrations. The results obtained from an exhaustive analysis of experimental data show that this system has a different behaviour in the linear regime of the instabilities (when the growth rate has a linear dependence with time), from the nonlinear regime at longer times. At short times using a color indicator to see the evolution of the pattern, the images show that the effects of both the color indicator and CO{sub 2} pressure are of the same order of magnitude: The growth rates are similar and the wave numbers are in the same range (0–30 cm{sup −1}) when the system is unstable. Although in the linear regime the dynamics is affected similarly by the presence of the indicator and CO{sub 2} pressure, in the nonlinear regime, the influence of the latter is clearly more pronounced than the effects of the color indicator.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Linear nanometric tunnel junction sensors with exchange pinned sensing layer

Highly sensitive nanosensors with high spatial resolution provide the necessary features for high accuracy imaging of isolated magnetic nanoparticles. In this work, we report the fabrication and characterization of MgO-barrier magnetic tunnel junction nanosensors, with two exchange-pinned electrodes. The perpendicular magnetization configuration for field sensing is set using a two-step annealing process, where the second annealing temperature was optimized to yield patterned sensors responses with improved linearity. The optimized circular nanosensors show sensitivities up to 0.1%/Oe, larger than previously reported for nanometric sensors and comparable to micrometric spin-valves. Our strategy avoids the use of external permanent biasing or demagnetizing fields (large for smaller structures) to achieve a linear response, enabling the control of the linear operation range using only the stack and thus providing a small footprint device.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Moment-based, self-consistent linear analysis of gyrotron oscillators

A new model for simulating gyrotron oscillators in the monomode time-dependent linear self-consistent regime is presented. Starting from a nonlinear time-dependent monomode model, the linearization and the following simplification of the model, based on a moment approach, are described. This simplified model represents a numerically efficient model and allows to have a deeper physical insight, in particular, for regimes dominated by self-consistent effects such as for the gyro-backward wave instability. One specific case of a gyrotron cavity is studied in detail and compared with experimental results, with special attention to self-consistent effects and to the differences with a model using a fixed field profile. Self-consistent linear simulations are, amongst other applications, important for the design of frequency-tunable gyrotrons or high-power gyrotrons with cavities having a relatively low quality factor, but also for studies of parasitic oscillations as they may occur in beam ducts and/or in the launcher section following the interaction cavity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Assessment of density functional theory based ΔSCF (self-consistent field) and linear response methods for longest wavelength excited states of extended π-conjugated molecular systems

Computational investigation of the longest wavelength excitations in a series of cyanines and linear n-acenes is undertaken with the use of standard spin-conserving linear response time-dependent density functional theory (TD-DFT) as well as its spin-flip variant and a ΔSCF method based on the ensemble DFT. The spin-conserving linear response TD-DFT fails to accurately reproduce the lowest excitation energy in these π-conjugated systems by strongly overestimating the excitation energies of cyanines and underestimating the excitation energies of n-acenes. The spin-flip TD-DFT is capable of correcting the underestimation of excitation energies of n-acenes by bringing in the non-dynamic electron correlation into the ground state; however, it does not fully correct for the overestimation of the excitation energies of cyanines, for which the non-dynamic correlation does not seem to play a role. The ensemble DFT method employed in this work is capable of correcting for the effect of missing non-dynamic correlation in the ground state of n-acenes and for the deficient description of differential correlation effects between the ground and excited states of cyanines and yields the excitation energies of both types of extended π-conjugated systems with the accuracy matching high-level ab initio multireference calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Linear phase distribution of acoustical vortices

Linear phase distribution of phase-coded acoustical vortices was theoretically investigated based on the radiation theory of point source, and then confirmed by experimental measurements. With the proposed criterion of positive phase slope, the possibility of constructing linear circular phase distributions is demonstrated to be determined by source parameters. Improved phase linearity can be achieved at larger source number, lower frequency, smaller vortex radius, and/or longer axial distance. Good agreements are observed between numerical simulations and measurement results for circular phase distributions. The favorable results confirm the feasibility of precise phase control for acoustical vortices and suggest potential applications in particle manipulation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Fluid electron, gyrokinetic ion simulations of linear internal kink and energetic particle modes

The internal kink mode is an important plasma instability responsible for a broad class of undesirable phenomena in tokamaks, including the sawtooth cycle and fishbones. To predict and discover ways to mitigate this behaviour in current and future devices, numerical simulations are necessary. The internal kink mode can be modelled by reduced magnetohydrodynamics (MHD). Fishbone modes are an inherently kinetic and non-linear phenomenon based on the n = 1 Energetic Particle Mode (EPM), and have been studied using hybrid codes that combine a reduced MHD bulk plasma model with a kinetic treatment of fast ions. In this work, linear simulations are presented using a hybrid model which couples a fluid treatment of electrons with a gyrokinetic treatment of both bulk and fast ions. Studies of the internal kink mode in geometry relevant to large tokamak experiments are presented and the effect of gyrokinetic ions is considered. Interaction of the kink with gyrokinetic fast ions is also considered, including the destabilisation of the linear n = 1 EPM underlying the fishbone.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Evolution of the linear-polarization-angle-dependence of the radiation-induced magnetoresistance-oscillations with microwave power

We examine the role of the microwave power in the linear polarization angle dependence of the microwave radiation induced magnetoresistance oscillations observed in the high mobility GaAs/AlGaAs two dimensional electron system. The diagonal resistance R{sub xx} was measured at the fixed magnetic fields of the photo-excited oscillatory extrema of R{sub xx} as a function of both the microwave power, P, and the linear polarization angle, θ. Color contour plots of such measurements demonstrate the evolution of the lineshape of R{sub xx} versus θ with increasing microwave power. We report that the non-linear power dependence of the amplitude of the radiation-induced magnetoresistance oscillations distorts the cosine-square relation between R{sub xx} and θ at high power.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗