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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Self-organizing layers from complex molecular anions

Ions are promising building blocks for tunable self-organizing materials with advanced technological applications. However, because of strong Coulomb attraction with counterions, the intrinsic properties of ions are difficult to exploit for preparation of bulk materials. Here, we report the precisely-controlled preparation of macroscopic surface layers by soft landing of mass selected complex anions which determine the self organization of the layers with their molecular properties. The family of halogenated dodecaborates [B12X12]2- (X = F, Cl, Br, I), in which the internal charge distribution between core and shell regions of the molecular ions systematically vary, was deposited on different self assembled monolayer surfaces (SAMs) on gold at high coverage. Layers of anions were found to be stabilized by accumulation of neutral molecules. Different phases, self-organization mechanisms and optical properties were observed to depend upon the internal charge distribution of the deposited anions, the underlying surface and the coadsorbed molecules. This demonstrates rational control of the properties of anion based layers.

Warneke, Jonas (ORCID:0000000232337412)↗
DOE OSTI2016

Real-time imaging of self-organization and mechanical competition in carbon nanotube forest growth [Real-time environmental TEM investigation of self-organization and mechanical competition in carbon nanotube forest growth]

Here, the properties of carbon nanotube (CNT) networks and analogous materials comprising filamentary nanostructures are governed by the intrinsic filament properties and their hierarchical organization and interconnection. As a result, direct knowledge of the collective dynamics of CNT synthesis and self-organization is essential to engineering improved CNT materials for applications such as membranes and thermal interfaces. Here, we use real-time environmental transmission electron microscopy (E-TEM) to observe nucleation and self-organization of CNTs into vertically aligned forests. Upon introduction of the carbon source, we observe a large scatter in the onset of nucleation of individual CNTs and the ensuing growth rates. Experiments performed at different temperatures and catalyst particle densities show the critical role of CNT density on the dynamics of self-organization; low-density CNT nucleation results in the CNTs becoming pinned to the substrate and forming random networks, whereas higher density CNT nucleation results in self-organization of the CNTs into bundles that are oriented perpendicular to the substrate. We also find that mechanical coupling between growing CNTs alters their growth trajectory and shape, causing significant deformations, buckling, and defects in the CNT walls. Therefore, it appears that CNT–CNT coupling not only is critical for self-organization but also directly influences CNT quality and likely the resulting properties of the forest. As a result, our findings show that control of the time-distributed kinetics of CNT nucleation and bundle formation are critical to manufacturing well-organized CNT assemblies and that E-TEM can be a powerful tool to investigate the mesoscale dynamics of CNT networks.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2013

Self-organized coherent bursts of stimulated Raman scattering and speckle interaction in multi-speckled laser beams

Nonlinear physics governing the kinetic behavior of stimulated Raman scattering (SRS) in multi-speckled laser beams has been identified in the trapping regime over a wide range of k{lambda}{sub D} values (here k is the wave number of the electron plasma waves and {lambda}{sub D} is the Debye length) in homogeneous and inhomogeneous plasmas. Hot electrons from intense speckles, both forward and side-loss hot electrons produced during SRS daughter electron plasma wave bowing and filamentation, seed and enhance the growth of SRS in neighboring speckles by reducing Landau damping. Trapping-enhanced speckle interaction through transport of hot electrons, backscatter, and sidescatter SRS light waves enable the system of speckles to self-organize and exhibit coherent, sub-ps SRS bursts with more than 100% instantaneous reflectivity, resulting in an SRS transverse coherence width much larger than a speckle width and a SRS spectrum that peaks outside the incident laser cone. SRS reflectivity is found to saturate above a threshold laser intensity at a level of reflectivity that depends on k{lambda}{sub D}: higher k{lambda}{sub D} leads to lower SRS and the reflectivity scales as {approx}(k{lambda}{sub D}){sup -4}. As k{lambda}{sub D} and Landau damping increase, speckle interaction via sidescattered light and side-loss hot electrons decreases and the occurrence of self-organized events becomes infrequent, leading to the reduction of time-averaged SRS reflectivity. It is found that the inclusion of a moderately strong magnetic field in the laser direction can effectively control SRS by suppressing transverse speckle interaction via hot electron transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Persistence of crystal orientations across sub-micron-scale "super-grains" in self-organized Cu-W nanocomposites

We use precession electron diffraction to investigate the crystallographic character of copper (Cu)-tungsten (W) nanocomposites fabricated via physical vapor co-deposition at 400 oC. We observe sub-micron-scale regions, where apparently disconnected Cu and W grains have near identical crystallographic orientations. This persistence of grain orientations suggests Cu and W grains within these regions are interconnected in 3-D when they first form and may be considered as intercalated, sub-micron-scale "super-grains". Indeed, atom probe tomography provides direct evidence of 3-D interconnectivity of W domains. Our findings shed light on the structure and self organization mechanisms of nanocomposites formed by spontaneous phase separation of co-deposited metals.

Yadav, Digvijay↗
DOE OSTI2015

Self-organization of S adatoms on Au(111): √3R30° rows at low coverage

Using scanning tunneling microscopy, we observe an adlayer structure that is dominated by short rows of S atoms, on unreconstructed regions of a Au(111) surface. This structure forms upon adsorption of low S coverage (less than 0.1 monolayer) on a fully reconstructed clean surface at 300 K, then cooling to 5 K for observation. The rows adopt one of three orientations that are rotated by 30° from the close-packed directions of the Au(111) substrate, and adjacent S atoms in the rows are separated by √3 times the surface lattice constant, a. Monte Carlo simulations are performed on lattice-gas models, derived using a limited cluster expansion based on density functional theory energetics. Models which include long-range pairwise interactions (extending to 5a), plus selected trio interactions, successfully reproduce the linear rows of S atoms at reasonable temperatures.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Nanoporous poly(3-hexylthiophene) thin film structures from self-organization of a tunable molecular bottlebrush scaffold

The ability to widely tune the design of macromolecular bottlebrushes provides access to self-assembled nanostructures formed by microphase segregation in melt, thin film and solution that depart from structures adopted by simple linear copolymers. A series of random bottlebrush copolymers containing poly(3-hexylthiophene) (P3HT) and poly(D,L-lactide) (PLA) side chains grafted on a poly(norbornene) backbone were synthesized via ring-opening metathesis polymerization (ROMP) using the grafting through approach. P3HT side chains induce a physical aggregation of the bottlebrush copolymers upon solvent removal by vacuum drying, primarily driven by attractive π–π interactions; however, the amount of aggregation can be controlled by adjusting side chain composition or by adding linear P3HT chains to the bottlebrush copolymers. Coarse-grained molecular dynamics simulations reveal that linear P3HT chains preferentially associate with P3HT side chains of bottlebrush copolymers, which tends to reduce the aggregation. The nanoscale morphology of microphase segregated thin films created by casting P3HT–PLA random bottlebrush copolymers is highly dependent on the composition of P3HT and PLA side chains, while domain spacing of nanostructures is mainly determined by the length of the side chains. The selective removal of PLA side chains under alkaline conditions generates nanoporous P3HT structures that can be tuned by manipulating molecular design of the bottlebrush scaffold, which is affected by molecular weight and grafting density of the side chains, and their sequence. Furthermore, the ability to exploit the unusual architecture of bottlebrushes to fabricate tunable nanoporous P3HT thin film structures may be a useful way to design templates for optoelectronic applications or membranes for separations.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Influence of temporal variations in plasma conditions on the electric potential near self-organized dust chains

Self-organization of dust grains into stable filamentary dust structures (or “chains”) largely depends on dynamic interactions between individual charged dust grains and complex electric potential arising from the distribution of charges within a local plasma environment. Recent studies have shown that the positive column of the gas discharge plasma in the Plasmakristall-4 (PK-4) experiment at the International Space Station supports the presence of fast-moving ionization waves, which lead to variations of plasma parameters by up to an order of magnitude from the average background values. The highly variable environment resulting from ionization waves may have interesting implications for the dynamics and self-organization of dust particles, particularly concerning the formation and stability of dust chains. Here, we investigate the electric potential surrounding dust chains in the PK-4 experiment by employing a molecular dynamics model of the dust and ions with boundary conditions supplied by a particle-in-cell with Monte Carlo collision simulation of the ionization waves. The model is used to examine the effects of the plasma conditions within different regions of the ionization wave and compare the resulting dust structure to that obtained by employing the time-averaged plasma conditions. Here, the comparison between simulated dust chains and experimental data from the PK-4 experiment shows that the time-averaged plasma conditions do not accurately reproduce observed results for dust behavior, indicating that more careful treatment of plasma conditions in the presence of ionization waves is required. It is further shown that commonly used analytic forms of the electric potential do not accurately describe the electric potential near charged dust grains under these plasma conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Self-organizing sensing and actuation for automatic control

A Self-Organizing Process Control Architecture is introduced with a Sensing Layer, Control Layer, Actuation Layer, Process Layer, as well as Self-Organizing Sensors (SOS) and Self-Organizing Actuators (SOA). A Self-Organizing Sensor for a process variable with one or multiple input variables is disclosed. An artificial neural network (ANN) based dynamic modeling mechanism as part of the Self-Organizing Sensor is described. As a case example, a Self-Organizing Soft-Sensor for CFB Boiler Bed Height is presented. Also provided is a method to develop a Self-Organizing Sensor.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

The Role of Anisotropy on the Self-Organization of Gas Bubble Superlattice

Self-organization of nanoscale void/gas bubble superlattices has been widely observed in irradiation experiments however yet to be well understood. The recent discovery of incoherent face-centered-cubic (fcc) Xe bubble lattice in body-centered-cubic (bcc) UMo challenges the widely accepted coherency between superlattices and matrices. A complete mechanistic understanding of bubble lattice self-organization may have a large impact to materials science and nuclear energy advancement, and is the objective of this project. The knowledge obtained through a coherent integration of experimental and computational approach will advance the current understanding of self-organization mechanisms of nanostructures under irradiation. To realize this goal, two appealing self-organization mechanisms previously proposed in open literatures have been identified: anisotropic elastic interaction between voids and kinetic anisotropy such as one-dimensional (1D) self-interstitial atoms (SIA) diffusion. For the first year, the focus is on the effect 1D diffusion using bcc Mo and W, with the former being elastically anisotropic while the latter isotropic. Efforts have been made to investigate the fundamental interaction between inert gas and metal matrices, the mechanism for void/bubble superlattice formation and their stabilities under irradiation and annealing, and the experimental conditions for bubble superlattice formation and evolution, and to establish advanced characterization techniques for bubble superlattice.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Quantum coherence–driven self-organized criticality and nonequilibrium light localization

Self-organized criticality emerges in dynamical complex systems driven out of equilibrium and characterizes a wide range of classical phenomena in physics, geology, and biology. We report on a quantum coherence–controlled self-organized critical transition observed in the light localization behavior of a coherence-driven nanophotonic configuration. Our system is composed of a gain-enhanced plasmonic heterostructure controlled by a coherent drive, in which photons close to the stopped-light regime interact in the presence of the active nonlinearities, eventually synchronizing their dynamics. In this system, on the basis of analytical and corroborating full-wave Maxwell-Bloch computations, we observe quantum coherence–controlled self-organized criticality in the emergence of light localization arising from the synchronization of the photons. It is associated with two first-order phase transitions: one pertaining to the synchronization of the dynamics of the photons and the second pertaining to an inversionless lasing transition by the coherent drive. The so-attained light localization, which is robust to dissipation, fluctuations, and many-body interactions, exhibits scale-invariant power laws and absence of finely tuned control parameters. We also found that, in this nonequilibrium dynamical system, the effective critical “temperature” of the system drops to zero, whereupon one enters the quantum self-organized critical regime.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Self-Organizing Maps and Their Applications to Data Analysis

Self-Organizing Maps(SOMs) are a form of unsupervised neural network that are used for visualization and exploratory data analysis of high dimensional datasets. Our goal was to understand how we can use a SOM to gain insights about datasets. We do this by first understanding the initialization, training, error metrics, and convergence properties of the SOM. Next we discuss the ways to interpret and visualize a Self-Organizing Map. Finally we used real datasets to understand what the Self-Organizing Map can tell us about labeled and unlabeled data. Based on experiments with our datasets we found that the Self-Organizing Map can tell us about the spacing and position of high dimensional clusters, help us find non-linear patterns, and give us insight into the shape of our data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2013

On the self-organizing process of large scale shear flows

Self organization is invoked as a paradigm to explore the processes governing the evolution of shear flows. By examining the probability density function (PDF) of the local flow gradient (shear), we show that shear flows reach a quasi-equilibrium state as its growth of shear is balanced by shear relaxation. Specifically, the PDFs of the local shear are calculated numerically and analytically in reduced 1D and 0D models, where the PDFs are shown to converge to a bimodal distribution in the case of finite correlated temporal forcing. This bimodal PDF is then shown to be reproduced in nonlinear simulation of 2D hydrodynamic turbulence. Furthermore, the bimodal PDF is demonstrated to result from a self-organizing shear flow with linear profile. Similar bimodal structure and linear profile of the shear flow are observed in gulf stream, suggesting self-organization.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Formation and self-organization of void superlattices under irradiation: A phase field study

Self-organized patterns, realized in non-equilibrium processes, have been widely observed in physics and chemistry. As a powerful tool to create far-from-equilibrium environments, irradiation produces a variety of types of defects, which can self-organize through physical interactions and chemical reactions. Such a process becomes complicated especially when both thermodynamics and kinetics play critical roles in pattern formation. Here, we explore the formation and self-organization mechanism of void superlattices in metals and alloys under irradiation through phase field modeling and simulations. For the first time, three different formation mechanisms of void superlattices are clearly distinguished according to their thermodynamic origin and reaction kinetics. It is discovered that the characteristic length and symmetry of an emerging superlattice is determined by the interplay of the thermodynamic driving force and the kinetic anisotropy of the system. Through parametric study, the effects of kinetic coefficients, such as atomic mobility and irradiation dose rate, on the nucleation, growth, coarsening, coalescence, and ordering of voids are systematically investigated. The theoretical model developed in this work may provide guidelines for designing desired self-organized microstructures under irradiation.

36 MATERIALS SCIENCE↗