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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Real-Time Alpine Measurement System Using Wireless Sensor Networks

Monitoring the snow pack is crucial for many stakeholders, whether for hydro-power optimization, water management or flood control. Traditional forecasting relies on regression methods, which often results in snow melt runoff predictions of low accuracy in non-average years. Existing ground-based real-time measurement systems do not cover enough physiographic variability and are mostly installed at low elevations. We present the hardware and software design of a state-of-the-art distributedWireless Sensor Network (WSN)-based autonomous measurement system with real-time remote data transmission that gathers data of snow depth, air temperature, air relative humidity, soil moisture, soil temperature, and solar radiation in physiographically representative locations. Elevation, aspect, slope and vegetation are used to select network locations, and distribute sensors throughout a given network location, since they govern snow pack variability at various scales. Three WSNs were installed in the Sierra Nevada of Northern California throughout the North Fork of the Feather River, upstream of the Oroville dam and multiple powerhouses along the river. The WSNs gathered hydrologic variables and network health statistics throughout the 2017 water year, one of northern Sierra’s wettest years on record. These networks leverage an ultra-low-power wireless technology to interconnect their components and offer recovery features, resilience to data loss due to weather and wildlife disturbances and real-time topological visualizations of the network health. Data show considerable spatial variability of snow depth, even within a 1 km 2 network location. In conclusion, combined with existing systems, these WSNs can better detect precipitation timing and phase in, monitor sub-daily dynamics of infiltration and surface runoff during precipitation or snow melt, and inform hydro power managers about actual ablation and end-of-season date across the landscape.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Neural Networks for Nuclear Reactions in MAESTROeX

We demonstrate the use of neural networks to accelerate the reaction steps in the MAESTROeX stellar hydrodynamics code. A traditional MAESTROeX simulation uses a stiff ODE integrator for the reactions; here, we employ a ResNet architecture and describe details relating to the architecture, training, and validation of our networks. Our customized approach includes options for the form of the loss functions, a demonstration that the use of parallel neural networks leads to increased accuracy, and a description of a perturbational approach in the training step that robustifies the model. We test our approach on millimeter-scale flames using a single-step, 3-isotope network describing the first stages of carbon fusion occurring in Type Ia supernovae. We train the neural networks using simulation data from a standard MAESTROeX simulation, and show that the resulting model can be effectively applied to different flame configurations. This work lays the groundwork for more complex networks, and iterative time-integration strategies that can leverage the efficiency of the neural networks.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

GAINN: The Galaxy Assembly and Interaction Neural Networks for High-redshift JWST Observations

We present the Galaxy Assembly and Interaction Neural Networks (Gainn), a series of artificial neural networks for predicting the redshift, stellar mass, halo mass, and mass-weighted age of simulated galaxies based on James Webb Space Telescope (JWST) photometry. Our goal is to determine the best neural network for predicting these variables at 11 < z < 15. The parameters of the optimal neural network can then be used to estimate these variables for real, observed galaxies. The inputs of the neural networks are JWST filter magnitudes of a subset of five broadband filters (F150W, F200W, F277W, F356W, and F444W) and two medium-band filters (F162M and F182M). We compare the performance of the neural networks using different combinations of these filters, as well as different activation functions and numbers of layers. The best neural network predicted redshift with a normalized rms error of $0.010^{+0.003}_{-0.001}$, stellar mass with rms = $0.089^{+0.044}_{-0.022}$, halo mass with a mean-squared error of $0.022^{+0.014}_{-0.008}$, and mass-weighted age with rms = $12.466^{+5.065}_{-2.408}$. We also test the performance of Gainn on real data from MACS0647JD, an object observed by JWST. Predictions from Gainn for the first projection of the object (JD1) have normalized bias $\langle$Δz$\rangle$ < 0.00228, which is significantly smaller than found with template-fitting methods. We find that the optimal filter combination is F277W, F356W, F162M, and F200W when considering both theoretical accuracy and observational resources from JWST.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Network traffic control for multi-homed end-hosts via SDN

Software-defined networking (SDN) is an emerging technology of efficiently controlling and managing computer networks, such as in data centres, wide-area networks, as well as in ubiquitous communication. In this study, the authors explore the idea of embedding the SDN components, represented by SDN controller and virtual switch, in end-hosts to improve network performance. In particular, the authors consider load balancing across multiple network interfaces on end-hosts with different link capacity scenarios. The authors have explored and implemented different SDN-based load-balancing approaches based on OpenFlow software switches, and have demonstrated the feasibility and the potential of this approach. The proposed system has been evaluated with MultiPath transmission control protocol (MPTCP). Furthermore, the proposed results demonstrated the potential of applying the SDN concepts on multi-homed devices resulting in an increase in achieved throughput of 55% compared to the legacy single network approach and 10% compared to the MPTCP.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Augmenting Microarray Data with Literature-Based Knowledge to Enhance Gene Regulatory Network Inference

Gene regulatory networks are a crucial aspect of systems biology in describing molecular mechanisms of the cell. Various computational models rely on random gene selection to infer such networks from microarray data. While incorporation of prior knowledge into data analysis has been deemed important, in practice, it has generally been limited to referencing genes in probe sets and using curated knowledge bases. We investigate the impact of augmenting microarray data with semantic relations automatically extracted from the literature, with the view that relations encoding gene/protein interactions eliminate the need for random selection of components in non-exhaustive approaches, producing a more accurate model of cellular behavior. A genetic algorithm is then used to optimize the strength of interactions using microarray data and an artificial neural network fitness function. The result is a directed and weighted network providing the individual contribution of each gene to its target. For testing, we used invasive ductile carcinoma of the breast to query the literature and a microarray set containing gene expression changes in these cells over several time points. Our model demonstrates significantly better fitness than the state-of-the-art model, which relies on an initial random selection of genes. Comparison to the component pathways of the KEGG Pathways in Cancer map reveals that the resulting networks contain both known and novel relationships. The p53 pathway results were manually validated in the literature. 60% of nonKEGG relationships were supported (74% for highly weighted interactions). The method was then applied to yeast data and our model again outperformed the comparison model. Our results demonstrate the advantage of combining gene interactions extracted from the literature in the form of semantic relations with microarray analysis in generating contribution-weighted gene regulatory networks. This methodology can make a significant contribution to understanding the complex interactions involved in cellular behavior and molecular physiology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

Fracture size and transmissivity correlations: Implications for transport simulations in sparse three-dimensional discrete fracture networks following a truncated power law distribution of fracture size

We characterize how different fracture size-transmissivity relationships influence flow and transport simulations through sparse three-dimensional discrete fracture networks. Although it is generally accepted that there is a positive correlation between a fracture's size and its transmissivity/aperture, the functional form of that relationship remains a matter of debate. Relationships that assume perfect correlation, semicorrelation, and noncorrelation between the two have been proposed. To study the impact that adopting one of these relationships has on transport properties, we generate multiple sparse fracture networks composed of circular fractures whose radii follow a truncated power law distribution. The distribution of transmissivities are selected so that the mean transmissivity of the fracture networks are the same and the distributions of aperture and transmissivity in models that include a stochastic term are also the same. We observe that adopting a correlation between a fracture size and its transmissivity leads to earlier breakthrough times and higher effective permeability when compared to networks where no correlation is used. While fracture network geometry plays the principal role in determining where transport occurs within the network, the relationship between size and transmissivity controls the flow speed. Lastly, these observations indicate DFN modelers should be aware that breakthrough times and effective permeabilities can be strongly influenced by such a relationship in addition to fracture and network statistics.

58 GEOSCIENCES↗
DOE OSTI2022

Cross Inference of Throughput Profiles Using Micro Kernel Network Method

Dedicated network connections are being increasingly deployed in cloud, centralized and edge computing and data infrastructures, whose throughput profiles are critical indicators of the underlying data transfer performance. Due to the cost and disruptions to physical infrastructures, network emulators, such as Mininet, are often used to generate measurements needed to estimate throughput profiles, typically expressed as a function of the connection round trip time. The profiles estimated using measurements from such emulated networks are usually inaccurate for high bandwidth and high latency connections, since they do not accurately reflect the critical network transport dynamics mainly due to computing and memory constraints of the host. We present a machine learning (ML) method to estimate the throughput profiles using emulation measurements to closely match the testbed and production network profiles. In particular, we propose a micro Kernel Network (mKN) that provides baseline throughput measurements on the host running Mininet emulations, which are used to learn a regression map that converts them to the corresponding testbed measurement estimates. Once initially learned, this map is applied to measurements from subsequent network emulations on the same host. We present experimental measurements to illustrate this approach, and derive generalization equations for the proposed mKN-ML method. Using a four-site scenario emulation, we show the effectiveness of this method in providing accurate concave throughput profiles from inaccurate convex or non-smooth ones indicated by Mininet emulation.

Rao, Nageswara↗
DOE OSTI2026

Input specific neural networks

Neural networks have emerged as powerful tools for mapping between inputs and outputs. However, their black-box nature limits the ability to encode or impose specific structural relationships between inputs and outputs. Many scientific and engineering problems, such as constitutive modeling in solid mechanics, require networks that can enforce convexity, monotonicity, or other structural constraints to ensure physical consistency. Here, we introduce the Input Specific Neural Network (ISNN), a new architecture that enables multiple, distinct constraints to be imposed on different input subsets for scalar-valued outputs. This framework unifies convex, monotone–convex, monotone, and arbitrary mappings within a single network for the first time. Two ISNN architectures with analytical first- and second-order derivatives are developed. We demonstrate the performance on synthetic toy problems, inverse problems in isotropic hyperelasticity, and finite element simulations. ISNNs achieve improved extrapolation behavior, require fewer invariant inputs than standard input convex networks for polyconvex potentials, and enable significant computational savings via manual differentiation. We also show how ISNNs can be used to learn structural relationships between inputs and outputs via a binary gating mechanism. Particularly, ISNNs are employed to model a homogenized anisotropic free energy potential in a decoupled multiscale setting. The network learns whether or not the potential should be modeled as polyconvex and retains only the relevant layers while using the minimum number of inputs. ISNNs provide a flexible foundation for embedding structural priors into neural networks, enhancing both interpretability and stability. They are broadly applicable across computational mechanics and other scientific domains requiring constrained functional relationships.

Jadoon, Asghar A. [Univ. of Texas, Austin, TX (Uni↗
DOE OSTI2015

A key route to designing huge eight-fold interpenetrated coordination networks with ths-type topology: Synthesis, structures, and topological characteristics

Solvothermal reactions of Cd(II) or Mn(II) ions with 4'-(4-carboxylphenyl)-2,2':6',2{sup -}terpyridine acid (Hcpt) and thiophene-2,5-dicarboxylic acid (H{sub 2}tpd) resulted in the formation of two isostructrual coordination networks ([M{sub 2}(cpt){sub 2}(tpd)]·3.5H{sub 2}O){sub n} (M=Cd, 1; M=Mn, 2). These complexes have been characterized by single-crystal X-ray diffraction analyses, infrared spectra (IR), elemental analyses, and powder X-ray diffraction (PXRD). Complexes 1 and 2, formed by the cpt{sup −} and tpd{sup 2−} bidentate connectors, have a 3D framework with a 3-connected, uninodal 10{sup 3}-ths topology possessing an unusual eight-fold [4*2] interpenetration mode. In addition, the ths cage has a long intracage M⋯M distance. In contrast, only a 1D coordination network ([CdCl(cpt)]·3.75H{sub 2}O){sub n} (3) was obtained under similar conditions while in the absence of the H{sub 2}tpd ligand. Compound 3 is propagated only by the [CdCl(cpt)] unit, which illustrated that the incorporation of the cpt{sup −} and Cl{sup −} ligands to form a 1D network. The distinct ancillary anions (tpd{sup 2−} or Cl{sup −}) play a critical role in determining the coordination features and the network connectivity of metal ions. This work presents a successful route to preparing rare eight-fold [4*2] interpenetrated networks. - Highlights: • A ths-type network with an eight-fold [4*2] interpenetration mode is rare. • Combining elongated ligands facilitate the eight-fold interpenetrated networks. • This ths-type cage features longe intracage M⋯M distances. • The chloride anion cannot help the forming of 3D frameworks. • The integration of bulky and multi-carboxylate ligands helps the forming of ths-type MOFs.

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

PbO networks composed of single crystalline nanosheets synthesized by a facile chemical precipitation method

Graphical abstract: - Highlights: • Synthesis of PbO networks through a simple chemical precipitation route. • The synthesis method is rapid and low-cost. • Each network is composed of single crystalline PbO nanosheets. • A possible growth mechanism is proposed for synthesized PbO networks. - Abstract: For the field of energy storage, nanostructured lead oxide (PbO) shows immense potential for increased specific energy and deep discharge for lead acid battery technologies. In this work, PbO networks composed of single crystalline nanosheets were synthesized utilizing a simple, low cost and rapid chemical precipitation method. The PbO networks were prepared in a single reaction vessel from starting reagents of lead acetate dehydrate, ammonium hydroxide and deionized water. Lead acetate dehydrate was chosen as a reagent, as opposed to lead nitrate, to eliminate the possibility of nitrate contamination of the final product. X-ray diffraction (XRD) analysis, high resolution scanning electron microscopy (HRSEM) and high resolution transmission electron microscopy (HRTEM) analysis were used to characterize the synthesized PbO networks. The reproducible method described herein synthesized pure β-PbO (massicot) powders, with no byproducts. A possible formation mechanism for these PbO networks is proposed. The growth is found to proceed predominately in the 〈1 1 1〉 and 〈2 0 0〉 directions while being limited in the 〈0 1 1〉 direction.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Network Algorithms for Detection of Radiation Sources

In support of national defense, Domestic Nuclear Detection Office’s (DNDO) Intelligent Radiation Sensor Systems (IRSS) program supported the development of networks of radiation counters for detecting, localizing and identifying low-level, hazardous radiation sources. Industry teams developed the first generation of such networks with tens of counters, and demonstrated several of their capabilities in indoor and outdoor characterization tests. Subsequently, these test measurements have been used in algorithm replays using various sub-networks of counters. Test measurements combined with algorithm outputs are used to extract Key Measurements and Benchmark (KMB) datasets. We present two selective analyses of these datasets: (a) a notional border monitoring scenario that highlights the benefits of a network of counters compared to individual detectors, and (b) new insights into the Sequential Probability Ratio Test (SPRT) detection method, which lead to its adaptations for improved detection. Using KMB datasets from an outdoor test, we construct a notional border monitoring scenario, wherein twelve 2”*2” NaI detectors are deployed on the periphery of 21*21meter square region. A Cs-137 (175 uCi) source is moved across this region, starting several meters from outside and finally moving away. The measurements from individual counters and the network were processed using replays of a particle filter algorithm developed under IRSS program. The algorithm outputs from KMB datasets clearly illustrate the benefits of combining measurements from all networked counters: the source was detected before it entered the region, during its trajectory inside, and until it moved several meters away. When individual counters are used for detection, the source was detected for much shorter durations, and sometimes was missed in the interior region. The application of SPRT for detecting radiation sources requires choosing the detection threshold, which in turn requires a source strength estimate, typically specified as a multiplier of the background radiation level. A judicious selection of this source multiplier is essential to achieve optimal detection probability at a specified false alarm rate. Typically, this threshold is chosen from the Receiver Operating Characteristic (ROC) by varying the source multiplier estimate. ROC is expected to have a monotonically increasing profile between the detection probability and false alarm rate. We derived ROCs for multiple indoor tests using KMB datasets, which revealed an unexpected loop shape: as the multiplier increases, detection probability and false alarm rate both increase until a limit, and then both contract. Consequently, two detection probabilities correspond to the same false alarm rate, and the higher is achieved at a lower multiplier, which is the desired operating point. Using the Chebyshev’s inequality we analytically confirm this shape. Then, we present two improved network-SPRT methods by (a) using the threshold off-set as a weighting factor for the binary decisions from individual detectors in a weighted majority voting fusion rule, and (b) applying a composite SPRT derived using measurements from all counters.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2022

Reprocessable polyhydroxyurethane networks reinforced with reactive polyhedral oligomeric silsesquioxanes (POSS) and exhibiting excellent elevated temperature creep resistance

The rapid development of covalent adaptable networks or vitrimers shows promise for addressing the long-standing recycling issues associated with conventional, permanently cross-linked thermosets. At the same time, it is important to demonstrate that properties of reprocessable polymer networks can be optimized to meet the ongoing demand for high-performance materials. We have fabricated reprocessable polyhydroxyurethane (PHU) network composites reinforced with reactive polyhedral oligomeric silsesquioxanes (POSS). With functionalized POSS serving as a fraction of the cross-linkers, the PHU–POSS network nanocomposites exhibit significantly enhanced storage modulus at the rubbery plateau region relative to the neat PHU network. With up to 10 wt% POSS loading, these network composites can undergo melt-state reprocessing at 140 °C with 100% property recovery associated with cross-link density. We also show that hydroxyurethane dynamic chemistry leads to excellent creep resistance at elevated temperature up to 90 °C and is unaffected by reactive incorporation of POSS. In conclusion, this study demonstrates the effectiveness of POSS as nanofillers for designing high-performance, organic-inorganic dynamic PHU networks with excellent reprocessability.

42 ENGINEERING↗
DOE OSTI2025

Data-Efficient Strategies for Probabilistic Voltage Envelopes under Network Contingencies

This work presents an efficient data-driven method to construct probabilistic voltage envelopes (PVE) using power flow learning in grids with network contingencies. First, a network-aware Gaussian process (GP) termed Vertex-Degree Kernel (VDK-GP), developed in prior work, is used to estimate voltage–power functions for a few network configurations. The paper introduces a novel multi-task vertex degree kernel (MT-VDK) that amalgamates the learned VDK-GPs to determine power flows for unseen networks, with a significant reduction in the computational complexity and hyperparameter requirements compared to alternate approaches. Simulations on the IEEE 30-Bus network demonstrate the retention and transfer of power flow knowledge in both N-1 and N-2 contingency scenarios. The MT-VDK-GP approach achieves over 50 % reduction in mean prediction error for novel N-1 contingency network configurations in low training data regimes (50–250 samples) over VDK-GP. Additionally, MT-VDK-GP outperforms a hyper-parameter based transfer learning approach in over 75 % of N-2 contingency network structures, even without historical N-2 outage data. Furthermore, the proposed method demonstrates the ability to achieve PVEs using sixteen times fewer power flow solutions compared to Monte-Carlo sampling-based methods.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2015

Reverse logistics network for municipal solid waste management: The inclusion of waste pickers as a Brazilian legal requirement

Highlights: • We propose a reverse logistics network for MSW involving waste pickers. • A generic facility location mathematical model was validated in a Brazilian city. • The results enable to predict the capacity for screening and storage centres (SSC). • We minimise the costs for transporting MSW with screening and storage centres. • The use of SSC can be a potential source of revenue and a better use of MSW. - Abstract: This study proposes a reverse logistics network involved in the management of municipal solid waste (MSW) to solve the challenge of economically managing these wastes considering the recent legal requirements of the Brazilian Waste Management Policy. The feasibility of the allocation of MSW material recovery facilities (MRF) as intermediate points between the generators of these wastes and the options for reuse and disposal was evaluated, as well as the participation of associations and cooperatives of waste pickers. This network was mathematically modelled and validated through a scenario analysis of the municipality of São Mateus, which makes the location model more complete and applicable in practice. The mathematical model allows the determination of the number of facilities required for the reverse logistics network, their location, capacities, and product flows between these facilities. The fixed costs of installation and operation of the proposed MRF were balanced with the reduction of transport costs, allowing the inclusion of waste pickers to the reverse logistics network. The main contribution of this study lies in the proposition of a reverse logistics network for MSW simultaneously involving legal, environmental, economic and social criteria, which is a very complex goal. This study can guide practices in other countries that have realities similar to those in Brazil of accelerated urbanisation without adequate planning for solid waste management, added to the strong presence of waste pickers that, through the characteristic of social vulnerability, must be included in the system. In addition to the theoretical contribution to the reverse logistics network problem, this study aids in decision-making for public managers who have limited technical and administrative capacities for the management of solid wastes.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2024

Synergistic Combination of Living Ring-Opening Metathesis Polymerization and Atom Transfer Radical Polymerization to Synthesize Structurally Tailored and Engineered Macromolecular Networks

Structurally tailored and engineered macromolecular (STEM) networks are attractive materials for soft robotics, stretchable electronics, tissue engineering, and 3D printing due to their tunable properties. To date, STEM networks have been synthesized by atom transfer radical polymerization (ATRP) or the combination of reversible addition–fragmentation chain-transfer (RAFT) polymerization and ATRP. RAFT polymerization could have limited selectivity with ATRP inimer sites that can participate in radical-transfer processes. On the other hand, living ring-opening metathesis polymerization (ROMP) can produce a polymeric network with latent ATRP initiator sites in high selectivity. Herein, for the first time, we report the syntheses of STEM zero-generation (STEM-0) networks using a monomer, a cross-linker, and an ATRP/ROMP inimer via living ROMP, followed by their modification using a second monomer via ATRP to synthesize STEM first-generation (STEM-1) networks. The mechanical property and swelling capacity analyses of these networks were carried out. A change in mechanical properties and swelling capacity of these networks was observed due to their structural modification.

Absorption↗
DOE OSTI2025

Structural and Dynamical Insights into the Formation Process of a Cross-Linked Polymer Network in Acrylic Adhesives During Thermal Curing

Many modern adhesives, sealants, and coatings rely on the controlled transition from a liquid to a solid state by forming a three-dimensional cross-linked polymer network, often referred to as curing. The curing process, which is initiated by the mixing of reactive components or an external trigger, defines the structure of a network and further controls the final mechanical properties of cured materials. However, the curing mechanism is not fully understood yet due to the lack of experimental tools capable of directly probing the structure and dynamics of a network over relevant time- and length scales. Here, in this paper, we report the curing process of a commercial two-component methyl methacrylate (MMA) adhesive using in operando X-ray photon correlation spectroscopy (XPCS), a method that closely simulates the target manufacturing environment of the adhesive. The results are then integrated with those obtained by rheology, differential scanning calorimetry (DSC), and transmission electron microscopy to establish the structure–dynamics–process–property relationship. The XPCS results identify four distinct stages in the curing process after the mixing, extrusion, and deposition of the acrylic adhesive: (i) At a cure time (or “aging time”, t age ) of less than 1 min, nanodomains of polymerized MMA are formed within a liquid monomeric MMA matrix. The average size is several nm and remains constant over t age , while the dynamics of the nanodomains are slowed down with t age due to an increase in the viscosity of the MMA matrix. (ii) After t age > 1 min, the size of the nanodomains increases with t age until the gel point (= 6.3 min after mixing as determined by rheology). The dynamics of the nanodomains also increase due to the heat generated by the exothermic reaction. (iii) At the gel point, the nanodomains begin to interconnect each other, resulting in a network structure with a characteristic length of about 100 nm. This characteristic network size does not change for the rest of the curing process up to t age = 500 min. The dynamics of the network structure, however, show a rapid slowing down with t age up to t age ≈ 12 min, corresponding to the onset of vitrification (as determined by rheology). (iv) At t age > 12 min, when the DSC and rheology data can no longer provide meaningful information, the XPCS data show a further slowing down of the network dynamics associated with vitrification. Our results provide rich and complex insights into the physics and material design of thermosets in commercially relevant processes, which are essential for future industrial applications.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Impact of an Emergent Hierarchical Filler Network on Nanocomposite Dynamics

Aggregated polymer fillers, such as carbon black and silica, at concentrations above the percolation threshold form an emergent structure, the hierarchical filler network, in immiscible systems where dispersion is driven by accumulated strain. It is proposed that the hierarchical filler network is composed of a primary nanoscale network that locally percolates at ~5 vol % of aggregates, associated with changes in the dynamic spectrum at low strain, and a secondary micrometer-scale network that globally percolates at ~20 vol % associated with the Payne effect and electrical conductivity. A model is proposed with an elastomer dominated dynamic response described by Einstein–Smallwood behavior at high frequencies and small sizes and a filler network dominated response at low frequencies and large sizes. The nanoscale mesh size correlates with this transition in low strain dynamic response. The micrometer-scale network displays a gel-like dynamic response at very low frequencies and a corresponding gel-like structural scaling regime at large sizes. In conclusion, the hierarchical filler network is described by two crossover frequencies and associated relaxation times, τ* and τ cc , and two related structural scaling regimes.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Nonlinear Elasticity: From Single Chain to Networks and Gels

Biological and polymeric networks show highly nonlinear stress–strain behavior manifested in materials that stiffen with increasing deformation. Using a combination of the theoretical analysis and molecular dynamics simulations, we develop a model of network deformation that describes nonlinear mechanical properties of networks and gels by relating their macroscopic strain-hardening behavior to molecular parameters of the network strands. The starting point of our approach is a nonlinear force/elongation relation for discrete chains with varying bending rigidity. The derived expression for the network free energy is a universal function of the first deformation invariant and chain elongation ratio that depends on a ratio of the unperturbed chain size to chain dimension in a fully extended conformation. The model predictions for the nonlinear shear modulus and differential shear modulus for uniaxial and shear deformations are in very good agreement with both the results of molecular dynamics simulations of networks and with experimental data for biopolymer networks of actin, collagen, fibrin, vimentin, neurofilaments, and pectin.

Polymer Science↗