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Results for “complexity theory”

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
NASA NTRS2003

Applicability of Complexity Theory to Martian Fluvial Systems: A Preliminary Analysis

In the last 15 years, terrestrial geomorphology has been revolutionized by the theories of chaotic systems, fractals, self-organization, and selforganized criticality. Except for the application of fractal theory to the analysis of lava flows and rampart craters on Mars, these theories have not yet been applied to problems of Martian landscape evolution. These complexity theories are elucidated below, along with the methods used to relate these theories to the realities of Martian fluvial systems.

Rosenshein, E. B.↗
DOE OSTI2018

Unnatural hypoxic regimes

Abstract Coastal hypoxia is increasing worldwide in response to human‐caused changes in global climate and biogeochemical cycles. In this paper, we view anthropogenic trends in coastal hypoxia through the lens of disturbance ecology and complexity theory. Complexity theory provides a framework for describing how estuaries and other coastal aquatic ecosystems respond to hypoxia by understanding feedback loops. Can it also be valuable in understanding how these ecosystems behave under shifting (i.e., unnatural) disturbance regimes? When viewed as a disturbance regime, shifts in the spatial (areal extent and fragmentation) and temporal (frequency and duration of events) characteristics of coastal hypoxia can be used to track changes into a non‐stationary future. Here, we consider options for increasing the resilience of coastal aquatic ecosystems to future, unnatural hypoxic regimes. To start, we define desirable states as ecosystems with long trophic chains and slow nutrient and carbon dynamics that produce many ecosystem services. We then work backward to describe circumstances dominated by positive feedbacks that can lead ecosystems toward an undesirable state (i.e., depauperate communities and chemically reduced sediments). Processes of degradation and recovery can be understood in the context of island biogeography whereby species diversity in habitats fragmented by hypoxia is determined by the balance between rapid local extinction, slow recolonization from the edges of hypoxic patches, and opportunities for ecological succession during between disturbance events. We review potential future changes associated with changing global climate and highlight ways to enhance coastal resilience. In addition to efforts to slow climate change, potential interventions include reduced nutrient and carbon loadings from rivers, restoration of aquatic vegetation, and managing for key species, including those that promote sediment oxygenation, that enhance water clarity, or that promote grazing on epiphytic algae through top‐down control.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Single-photon test of hyper-complex quantum theories using a metamaterial

In standard quantum mechanics, complex numbers are used to describe the wavefunction. Although this has so far proven sufficient to predict experimental results, there is no theoretical reason to choose them over real numbers or generalizations of complex numbers, that is, hyper-complex numbers. Experiments performed to date have proven that real numbers are insufficient, but the need for hyper-complex numbers remains an open question. Here we experimentally probe hyper-complex quantum theories, studying one of their deviations from complex quantum theory: the non-commutativity of phases. We do so by passing single photons through a Sagnac interferometer containing both a metamaterial with a negative refractive index, and a positive phase shifter. In order to accomplish this we engineered a fishnet metamaterial to have a negative refractive index at 780 nm. Here, we show that the metamaterial phase commutes with other phases with high precision, allowing us to place limits on a particular prediction of hyper-complex quantum theories.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Some elements of a theory of multidimensional complex variables. I - General theory. II - Expansions of analytic functions and application to fluid flows

The paper introduces a new theory of N-dimensional complex variables and analytic functions which, for N greater than 2, is both a direct generalization and a close analog of the theory of ordinary complex variables. The algebra in the present theory is a commutative ring, not a field. Functions of a three-dimensional variable were defined and the definition of the derivative then led to analytic functions.

Martin, E. Dale↗
DOE OSTI2023

Signal-to-noise improvement through neural network contour deformations for 3D $SU(2)$ lattice gauge theory

Complex contour deformations of the path integral have been demonstrated to significantly improve the signal-to-noise ratio of observables in previous studies of two-dimensional gauge theories with open boundary conditions. In this work, new developments based on gauge fixing and a neural network definition of the deformation are introduced, which enable an effective application to theories in higher dimensions and with generic boundary conditions. Improvements of the signal-to-noise ratio by up to three orders of magnitude for Wilson loop measurements are shown in $SU(2)$ lattice gauge theory in three spacetime dimensions.

Detmold, William↗
DOE OSTI2025

Real-space Kohn–Sham density functional theory for complex energy applications

Real-space Kohn-Sham density functional theory (real-space KS-DFT) enables large-scale electronic structure simulations that is particularly well-suited for the modern high-performance computing (HPC) architectures. This feature article reviews its theoretical foundations, highlights the algorithmic advances and recent developments, and showcases applications in complex nano systems. We aim to provide a perspective on the trajectory of real-space KS-DFT as an emerging tool for computational chemistry and materials science in the exascale era.

Zhang, Zeyi↗
DOE OSTI2017

Perspective: Explicitly correlated electronic structure theory for complex systems

The explicitly correlated approach is one of the most important breakthroughs in ab initio electronic structure theory, providing arguably the most compact, accurate, and efficient ansatz for describing the correlated motion of electrons. Since Hylleraas first used an explicitly correlated wave function for the He atom in 1929, numerous attempts have been made to tackle the significant challenges involved in constructing practical explicitly correlated methods that are applicable to larger systems. These include identifying suitable mathematical forms of a correlated wave function and an efficient evaluation of many-electron integrals. R12 theory, which employs the resolution of the identity approximation, emerged in 1985, followed by the introduction of novel correlation factors and wave function ansätze, leading to the establishment of F12 theory in the 2000s. Rapid progress in recent years has significantly extended the application range of explicitly correlated theory, offering the potential of an accurate wave-function treatment of complex systems such as photosystems and semiconductors. In conclusion, this perspective surveys explicitly correlated electronic structure theory, with an emphasis on recent stochastic and deterministic approaches that hold significant promise for applications to large and complex systems including solids.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Kohn-Sham Density Functional Theory with Complex, Spin-Restricted Orbitals: Accessing a New Class of Densities without the Symmetry Dilemma

Here, we show that using complex, spin-restricted orbitals in Kohn-Sham (KS) density functional theory allows one to access a new class of densities that is not accessible by either spin-restricted (RKS) or spin-unrestricted (UKS) orbitals. We further show that the real part of a complex RKS (CRKS) density matrix can be nonidempotent when the imaginary part of the density matrix is not zero. Using CRKS orbitals shows significant improvements in the triplet-singlet gaps of a benchmark set, called TS12, for well-established, widely used density functionals. Moreover, it was shown that RKS and UKS yield qualitatively wrong charge densities and spin densities, respectively, leading to worse energetics. We demonstrate that representative modern density functionals show surprisingly no improvement even with a qualitatively more accurate density from CRKS orbitals. To this end, our work not only provides a way to escape the symmetry dilemma whenever there exists a CRKS solution, but also suggests a new route to design better approximate density functionals.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Microscopic Derivation of Transition-state Theory for Complex Quantum Systems

The decay of quantum complex systems through a potential barrier is often described with transition-state theory, also known as RRKM theory in chemistry. Here we derive the basic formula for transition-state theory based on a generic Hamiltonian as might be constructed in a configuration-interaction basis. Two reservoirs of random Hamiltonians from Gaussian orthogonal ensembles are coupled to intermediate states representing the transition states at a barrier. Under the condition that the decay of the reservoirs to open channels is large, an analytic formula for reaction rates is derived. Here, the transition states act as independent Breit–Wigner resonances which contribute additively to the total transition probability, as is well known for electronic conductance through resonant tunneling states. It is also found that the transition probability is independent of the decay properties of the states in the second reservoir over a wide range of decay widths.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2026

Power of Quantum Witnesses

A central theme in the study of quantum information is to understand whether quantum resources are more powerful than their classical counterparts. One such resource is quantum witness and understanding the power of quantum witnesses is one of the fundamental questions of quantum complexity theory. The broad object of this project was to understand the power of quantum witnesses and related objects and their properties: In this direction, this project addressed three key broader category of questions: 1) Are quantum witnesses more powerful than the classical witnesses? 2) How easy it is to copy quantum witnesses and what are their complexity theoretic implications? 3) Can quantum witnesses shed light or help provide super-polynomial quantum speedups on problems for which super-polynomial quantum speedups are shown to be not possible in general? The research conducted under this grant has directly addressed the three core pillars of the original proposal: characterizing the computational power of quantum witnesses, understanding their uncloneability, implications for complexity theory and identifying structural regimes for super-polynomial speedups.

97 MATHEMATICS AND COMPUTING↗