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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Characterizing different motility-induced regimes in active matter with machine learning and noise

Here we examine motility-induced phase separation (MIPS) in two-dimensional run-and-tumble disk systems using both machine learning and noise fluctuation analysis. Our measures suggest that within the MIPS state there are several distinct regimes as a function of density and run time, so that systems with MIPS transitions exhibit an active fluid, an active crystal, and a critical regime. The different regimes can be detected by combining an order parameter extracted from principal component analysis with a cluster stability measurement. The principal component-derived order parameter is maximized in the critical regime, remains low in the active fluid, and has an intermediate value in the active crystal regime. We demonstrate that machine learning can better capture dynamical properties of the MIPS regimes compared to more standard structural measures such as the maximum cluster size. The different regimes can also be characterized via changes in the noise power of the fluctuations in the average speed. In the critical regime, the noise power passes through a maximum and has a broad spectrum with a 1/f 1.6 signature, similar to the noise observed near depinning transitions or for solids undergoing plastic deformation.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Kinetics of Aggregation with Choice

Here we generalize the ordinary aggregation process to allow for choice. In ordinary aggregation, two random clusters merge and form a larger aggregate. In our implementation of choice, a target cluster and two candidate clusters are randomly selected and the target cluster merges with the larger of the two candidate clusters.We study the long-time asymptotic behavior and find that as in ordinary aggregation, the size density adheres to the standard scaling form. However, aggregation with choice exhibits a number of different features. First, the density of the smallest clusters exhibits anomalous scaling. Second, both the small-size and the large-size tails of the density are overpopulated, at the expense of the density of moderate-size clusters. Finally, we also study the complementary case where the smaller candidate cluster participates in the aggregation process and find an abundance of moderate clusters at the expense of small and large clusters. Additionally, we investigate aggregation processes with choice among multiple candidate clusters and a symmetric implementation where the choice is between two pairs of clusters.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2017

Aggregation-fragmentation-diffusion model for trail dynamics

We investigate statistical properties of trails formed by a random process incorporating aggregation, fragmentation, and diffusion. In this stochastic process, which takes place in one spatial dimension, two neighboring trails may combine to form a larger one, and also one trail may split into two. In addition, trails move diffusively. The model is defined by two parameters which quantify the fragmentation rate and the fragment size. In the long-time limit, the system reaches a steady state, and our focus is the limiting distribution of trail weights. We find that the density of trail weight has power-law tail P(w)~w –γ for small weight w. We obtain the exponent γ analytically and find that it varies continuously with the two model parameters. In conclusion, the exponent γ can be positive or negative, so that in one range of parameters small-weight trails are abundant and in the complementary range they are rare.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

How Difficult is it to Prepare a Quantum State?

Consider a quantum system prepared in an input state. One wants to drive it into a target state. Assuming classical states and operations as free resources, I identify a geometric cost function which quantifies the difficulty of the protocol in terms of how different it is from a classical process. The quantity determines a lower bound to the number of commuting unitary transformations required to complete the task. Lastly, I then discuss the link between the quantum character of a state preparation and the amount of coherence and quantum correlations that are created in the target state.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Ecological information and approaches needed for risk communication dialogs for acute or chronic environmental crises

Scientists, social scientists, risk communicators, and many others are often thrust into a crisis situation where they need to interact with a range of stakeholders, including governmental personnel (tribal, U.S. federal, state, local), local residents, and other publics, as well as other scientists and other risk communicators in situations where information is incomplete and evolving. This paper provides: (1) an overall framework for thinking about communication during crises, from acute to chronic, and local to widespread, (2) a template for the types of ecological information needed to address public and environmental concerns, and (3) examples to illustrate how this information will aid risk communicators. The main goal is providing an approach to the knowledge needed by communicators to address the challenges of protecting ecological resources during an environmental crisis, or for an on-going, chronic environmental issue. To understand the risk to these ecological resources, it is important to identify the type of event, whether it is acute or chronic (or some combination of these), what receptors are at risk, and what stressors are involved (natural, biological, chemical, radiological). For ecological resources, the key information a communicator needs for a crisis is whether any of the following are present: threatened or endangered species, species of special concern, species groups of concern (e.g., neotropical bird migrants, breeding frogs in vernal ponds, rare plant assemblages), unique or rare habitats, species of commercial and recreational interest, and species/habitats of especial interest for medicinal, cultural, or religious activities. Communication among stakeholders is complicated with respect to risk to ecological receptors because of differences in trust, credibility, empathy, perceptions, world view valuation of the resources, and in many cases, a history of misinformation, disinformation, or no information. Exposure of salmon spawning in the Columbia River to hexavalent chromium from the Hanford Site is used as an example of communication challenges with different stakeholders, including Native Americans with Tribal Treaty rights to the land.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Trust and consequences: Role of community science, perceptions, values, and environmental justice in risk communication

Risk communication is often viewed as imparting information and perhaps as a two-way dialogue. Risk communication inadequacies on the part of both “communicator” and “community members” can lead to adverse consequences and amplify environmental justice disparities. The paper suggests a transformational approach where risk communicators must learn to trust community experts and their knowledge base (and act upon it), where risk information imparted by risk communicators addresses what communities are most concerned about (as well as risk from specific chemicals or radionuclides), and where risk information and assessments address underlying issues and disparities, as well as cultural traditions (among others). Providing risk probabilities is no longer sufficient; western science may not be enough, and community and native scientific knowledge is needed. Risk communication (or information transfer) for environmental risks that are ongoing usually applies to low-income, minority communities—people living in dense inner cities, rural communities, Native American communities—or to people living near a risky facility. Communication within this context requires mutual trust, listening and respect, as well as acceptance of indigenous and community knowledge as equally valuable. Examples are given to illustrate a community perspective.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Nonlinear instabilities of multi-site breathers in Klein-Gordon lattices

Here, we explore the possibility of multi-site breather states in a nonlinear Klein–Gordon lattice to become nonlinearly unstable, even if they are found to be spectrally stable. The mechanism for this nonlinear instability is through the resonance with the wave continuum of a multiple of an internal mode eigenfrequency in the linearization of excited breather states. For the nonlinear instability, the internal mode must have its Krein signature opposite to that of the wave continuum. This mechanism is not only theoretically proposed, but also numerically corroborated through two concrete examples of the Klein–Gordon lattice with a soft (Morse) and a hard (Φ 4 ) potential. Compared to the case of the nonlinear Schrödinger lattice, the Krein signature of the internal mode relative to that of the wave continuum may change depending on the period of the multi-site breather state. For the periods for which the Krein signatures of the internal mode and the wave continuum coincide, multi-site breather states are observed to be nonlinearly stable.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

The Pele Simulation Suite for Reacting Flows at Exascale

In this work, we present the Pele suite of software tools for compressible and incompressible reacting flows. The Pele suite leverages several different libraries, notably AMReX and SUNDIALS, to achieve performance portability on heterogeneous computing architectures across the supercomputing landscape. The Pele suite is comprised of PeleC, a compressible reacting flow block-structured adaptive mesh refinement solver, PeleLMeX, a low-Mach number reacting flow block-structured adaptive mesh refinement solver, Pele-Physics, a library for transport, thermodynamics, finite rate chemistry, soot, spray and radiation physics. The objective of this paper is (i) to present the code development efforts necessary to achieve highly effective and scalable applications for exascale machines and (ii) to detail the performance results of the Combustion-Pele project applications on Oak Ridge National Laboratory's Frontier. We show good weak and strong scaling results for both PeleC and PeleLMeX up to more than 50 billion cells on more than 4096 Frontier graphics processing unit nodes. We also present a capability demonstration simulation of a dual-fuel pulse compression ignition engine (six adaptive mesh refinement levels, and 60 billion cells or 2.1 trillion degrees of freedom) on Frontier, to date one of the largest simulations performed on the first exascale-class supercomputer.

adaptive mesh refinement↗
DOE OSTI2014

A study in three-dimensional chaotic dynamics: Granular flow and transport in a bi-axial spherical tumbler

We study three-dimensional (3D) chaotic dynamics through an analysis of transport in a granular flow in a half-full spherical tumbler rotated sequentially about two orthogonal axes (a bi-axial “blinking” tumbler). The flow is essentially quasi-two-dimensional in any vertical slice of the sphere during rotation about a single axis, and we provide an explicit exact solution to the model in this case. Hence, the cross-sectional flow can be represented by a twist map, allowing us to express the 3D flow as a linked twist map (LTM). We prove that if the rates of rotation about each axis are equal, then (in the absence of stochasticity) particle trajectories are restricted to two-dimensional (2D) surfaces consisting of a portion of a hemispherical shell closed by a “cap''; if the rotation rates are unequal, then particles can leave the surface they start on and traverse a volume of the tumbler. The period-one structures of the governing LTM are examined in detail: analytical expressions are provided for the location of period-one curves, their extent into the bulk of the granular material, and their dependence on the protocol parameters (rates and durations of rotations). Exploiting the restriction of trajectories to 2D surfaces in the case of equal rotation rates about the axes, a method is proposed for identifying and constructing 3D Kolmogorov--Arnold--Moser (KAM) tubes around the normally elliptic period-one curves. The invariant manifold structure arising from the normally hyperbolic period-one curves is also examined. When the motion is restricted to 2D surfaces, the structure of manifolds of the hyperbolic points in the bulk differs from that corresponding to hyperbolic points in the flowing layer. Each is reminiscent of a template provided by a non-integrable perturbation to a Hamiltonian system, though the governing LTM is not. This highlights the novel 3D chaotic behaviors observed in this model dynamical system.

42 ENGINEERING↗
DOE OSTI2016

The NonConforming Virtual Element Method for the Stokes Equations

In this paper, we present the nonconforming virtual element method (VEM) for the numerical approximation of velocity and pressure in the steady Stokes problem. The pressure is approximated using discontinuous piecewise polynomials, while each component of the velocity is approximated using the nonconforming virtual element space. On each mesh element the local virtual space contains the space of polynomials of up to a given degree, plus suitable nonpolynomial functions. The virtual element functions are implicitly defined as the solution of local Poisson problems with polynomial Neumann boundary conditions. As typical in VEM approaches, the explicit evaluation of the non-polynomial functions is not required. This approach makes it possible to construct nonconforming (virtual) spaces for any polynomial degree regardless of the parity, for two- and three-dimensional problems, and for meshes with very general polygonal and polyhedral elements. We show that the nonconforming VEM is inf-sup stable and establish optimal a priori error estimates for the velocity and pressure approximations. Finally, numerical examples confirm the convergence analysis and the effectiveness of the method in providing high-order accurate approximations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Algebraic Multigrid Preconditioners for Multiphase Flow in Porous Media

Multiphase flow is a critical process in a wide range of applications, including carbon sequestration, contaminant remediation, and groundwater management. Typically, this process is modeled by a nonlinear system of partial differential equations derived by considering the mass conservation of each phase (e.g., oil, water), along with constitutive laws for the relationship of phase velocity to phase pressure. In this study, we develop and study efficient solution algorithms for solving the algebraic systems of equations derived from a fully coupled and time-implicit treatment of models of multiphase flow. We explore the performance of several preconditioners based on algebraic multigrid (AMG) for solving the linearized problem, including “black-box” AMG applied directly to the system, a new version of constrained pressure residual multigrid (CPR-AMG) preconditioning, and a new preconditioner derived using an approximate Schur complement arising from the block factorization of the Jacobian. Finally, we show that the new methods are the most robust with respect to problem character, as determined by varying effects of capillary pressures, and we show that the block factorization preconditioner both is efficient and scales optimally with problem size.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Maximum Size Intersecting Families of Bounded Minimum Positive Co-degree

Let $\mathcal{H}$ be an $r$-uniform hypergraph. The minimum positive co-degree of $\mathcal{H}$, denoted by $\delta_{r-1}^+(\mathcal{H})$, is the minimum $k$ such that if $S$ is an $(r-1)$-set contained in a hyperedge of $\mathcal{H}$, then $S$ is contained in at least $k$ hyperedges of $\mathcal{H}$. For $r\geq k$ fixed and $n$ sufficiently large, we determine the maximum possible size of an intersecting $r$-uniform $n$-vertex hypergraph with minimum positive co-degree $\delta_{r-1}^+(\mathcal{H}) \geq k$ and characterize the unique hypergraph attaining this maximum. This generalizes the Erd\Hos--Ko--Rado theorem which corresponds to the case $k=1$. Furthermore, our proof is based on the delta-system method.

97 MATHEMATICS AND COMPUTING↗