Next Generation Workflow ? an Open Source Software System for Computational Modeling to Support Agile VVUQ.
Abstract not provided.
Orient, George Edgar↗
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Results for “open systems”
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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Adiabatic quantum decoherence in many non-interacting subsystems induced by the coupling with a common boson bath
Highlights: • System–environment quantum correlation: a main solid state NMR decoherence channel. • Non-separable system–environment model yields realistic spin decoherence rates. • New open quantum system approach explains irreversible decay of refocused NMR echoes. • Adiabatic quantum decoherence is inherently irreversible and eigen-selective. This work addresses adiabatic quantum decoherence of many-body spin systems coupled with a boson field in the framework of open quantum systems theory. We generalize the traditional spin-boson model by considering a system–environment interaction Hamiltonian that represents a partition of non-interacting subsystems and highlights the collective correlation that appears exclusively due to the coupling with a common environment. Remarkably, this simple, exactly solvable model encompasses relevant aspects of a many-body open quantum system and features the subtle quantum effects that arise when the size scales up to a macroscopic level. We derive an analytical expression for the time dependence of the density matrix elements (in the preferred basis) without assuming coarse-graining. The resulting decoherence function is eigen-selective and is a complex exponential whose exponent has a real part that introduces a decay similar to that in the spin-boson model. On the contrary, the imaginary part depends on the quantum numbers and geometry of the whole partition and does not reflect the system temperature. Motivated by decoherence in solid-state NMR, and in search of realistic numerical estimations, we apply the theoretical results to a partition of dipole-coupled spin pairs in contact with a common phonon bath, using typical parameters of hydrated salts. The proposal allows estimating the decoherence time scale in terms of the system physical constants: sound velocity and eigenvalue distribution width. As a significant novelty, the decoherence function phase depends on the eigenvalue distribution throughout the sample. It plays the leading role, overshadowing the mechanism associated with the bath thermal state. Finally, we apply the formalism to describe decoherence in the “magic echo” NMR reversal experiment. We find that the system–environment correlation explains the origin of irreversibility, and both the decoherence rate value and its dependence on the dipolar frequency, are remarkably similar to the experiment.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Evaluation of Analytical and Numerical Techniques for Defining the Radius of Influence for an Open-Loop Ground Source Heat Pump System
In an open-loop groundwater heat pump (GHP) system, groundwater is extracted, run through a heat exchanger, and injected back into the ground, resulting in no mass balance changes to the flow system. Although the groundwater use is non-consumptive, the withdrawal and injection of groundwater may cause negative hydraulic and thermal impacts to the flow system. Because GHP is a relatively new technology and regulatory guidelines for determining environmental impacts for GHPs may not exist, consumptive use metrics may need to be used for permit applications. For consumptive use permits, a radius of influence is often used, which is defined as the radius beyond which hydraulic impacts to the system are considered negligible. In this paper, the hydraulic radius of influence concept was examined using analytical and numerical methods for a non-consumptive GHP system in southeastern Washington State. At this location, the primary hydraulic concerns were impacts to nearby contaminant plumes and a water supply well field. The results of this study showed that the analytical techniques with idealized radial flow were generally unsuited because they over predicted the influence of the well system. The numerical techniques yielded more reasonable results because they could account for aquifer heterogeneities and flow boundaries. In particular, the use of a capture zone analysis was identified as the best method for determining potential changes in current contaminant plume trajectories. The capture zone analysis is a more quantitative and reliable tool for determining the radius of influence with a greater accuracy and better insight for a non-consumptive GHP assessment.
GHPs↗
Decoherence and Brownian motion of a polarizable particle near a medium
Optically levitated nanoparticles are ideal experimental testbeds for investigating macroscopic superpositions and microscopic thermodynamics. Integrating such levitated nanoparticles with photonic structures can enable strong coupling between their center-of-mass motion and guided photonic modes, facilitating enhanced control and probing of their motion. When coupling a particle to a photonic structure, such as a waveguide, the effects of fluctuations become prominent at nanoscales. In this work, we analyze the classical and quantized center-of-mass motion of a polarizable particle interacting with the fluctuations of the electromagnetic field in the presence of a medium. We derive a position localization master equation for the particle's quantized center of mass, and examine its classical center-of-mass momentum diffusion, elucidating correspondences between classical and quantum Brownian motion of polarizable particles near media. We study the decoherence rate of the particle in the presence of a planar surface as a function of temperature and distance from the surface, comparing it to common sources of decoherence. Our results are pertinent to experiments aimed at preparing levitated nanospheres in macroscopic quantum states and investigating their Brownian dynamics.
Brownian motion↗
Passive Safety System Reliability Analysis: Lessons Learned and Open Items
Passive safety systems have multiple benefits, largely stemming from their high functional reliability due to their simplicity and lack of dependencies. However, accurately assessing the reliability of passive systems can be challenging due in large part to the possibility of functional failures. Argonne National Laboratory (Argonne) has been involved in several recent efforts concerning the reliability assessment of passive safety systems for advanced, non-light water reactors (non-LWRs). These efforts have focused on the development and application of mechanistic methods for the evaluation of passive system reliability, which rely on system modelling and uncertainty analyses to derive reliability values for use in probabilistic safety assessments (PSAs). Further information on these efforts is provided in ref [1]. The current paper reviews key lessons learned through these projects, along with outstanding open items regarding the reliability assessment of passive systems.
Grabaskas, David↗
Quantum simulation of nonequilibrium dynamics and thermalization in the Schwinger model
In this work, we present simulations of nonequilibrium dynamics of quantum field theories on digital quantum computers. As a representative example, we consider the Schwinger model, a (1+1)-dimensional U(1) gauge theory, coupled through a Yukawa-type interaction to a thermal environment described by a scalar field theory. We use the Hamiltonian formulation of the Schwinger model discretized on a spatial lattice. With the thermal scalar fields traced out, the Schwinger model can be treated as an open quantum system and its real-time dynamics are governed by a Lindblad equation in the Markovian limit. The interaction with the environment ultimately drives the system to thermal equilibrium. In the quantum Brownian motion limit, the Lindblad equation is related to a field theoretical Caldeira-Leggett equation. By using the Stinespring dilation theorem with ancillary qubits, we perform studies of both the nonequilibrium dynamics and the preparation of a thermal state in the Schwinger model using IBM's simulator and quantum devices. The real-time dynamics of field theories as open quantum systems and the thermal state preparation studied here are relevant for a variety of applications in nuclear and particle physics, quantum information and cosmology.
72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
Survey of Use Cases and Scenarios on the Open Energy Data Initiative Solar Systems Integration (OEDI SI) Platform
The Open Energy Data Initiative Solar Systems Integration (OEDI SI) Data and Modeling Platform offers a comprehensive set of use cases tailored for power systems analysis. Each use case is centered around a specific power system analysis problem, supported by composite input data and reference algorithms. These composite input datasets are meticulously assembled using OEDI SI's data preprocessing tools, which integrate raw data from various sources. The primary objectives of the OEDI SI Platform include facilitating access to composite input data through widely accepted input/output formats and verified results. This accessibility enables power system network researchers and developers to validate their algorithms and showcase their applications' capabilities to the broader community. Moreover, the platform strives to promote reproducible, robust, replicable, and generalizable solar systems integration research.
14 SOLAR ENERGY↗
An Experimental Flow-Through Assessment of Acidic Fe/Mg Smectite Formation on Early Mars
Orbital observations have detected the phyllosilicate smectite in layered material hundreds of meters thick, intracrater depositional fans, and plains sediments on Mars; however, the detection of carbonate deposits is limited. Instead of neutral/alkaline conditions during the Noachian, early Mars may have experienced mildly acidic conditions derived from volcanic acid-sulfate solutions that allowed Fe/Mg smectite formation but prevented widespread carbonate formation. The detection of acid sulfates (e.g., jarosite) associated with smectite in Mawrth Vallis supports this hypothesis. Previous work demonstrated smectite (saponite) formation in closed hydrologic systems (batch reactor) from basaltic glass at pH 4 and 200°C (Peretyazhko et al., 2016 GCA). This work presents results from alteration of basaltic glass from alkaline to acidic conditions in open hydrologic systems (flow-through reactor). Preliminary experiments exposed basaltic glass to deionized water at 190°C at 0.25 ml/min where solution pH equilibrated to 9.5. These initial high pH experiments were conducted to evaluate the flow-through reactor system before working with lower pHs. Smectite at this pH was not produced and instead X-ray diffraction results consistent with serpentine was detected. Experiments are in progress exposing basaltic glass from pH 8 down to pH 3 to determine what range of pHs could allow for smectite formation in this experimental opensystem. The production of smectite under an experimental open-system at low pHs if successful, would support a significant paradigm shift regarding the geochemical evolution of early Mars: Early Mars geochemical solutions were mildly acidic, not neutral/alkaline. This could have profound implications regarding early martain microbiology where acid conditions instead of neutral/alkaline conditions will require further research in terrestrial analogs to address the potential for biosignature preservation on Mars.
Sutter, Brad↗
TRIGGER OF A BLOWOUT JET IN A SOLAR CORONAL MASS EJECTION ASSOCIATED WITH A FLARE
Using the multi-wavelength images and the photospheric magnetograms from the Solar Dynamics Observatory, we study the flare that was associated with the only coronal mass ejection (CME) in active region (AR) 12192. The eruption of a filament caused a blowout jet, and then an M4.0 class flare occurred. This flare was located at the edge of the AR instead of in the core region. The flare was close to the apparently “open” fields, appearing as extreme-ultraviolet structures that fan out rapidly. Due to the interaction between flare materials and “open” fields, the flare became an eruptive flare, leading to the CME. Then, at the same site of the first eruption, another small filament erupted. With the high spatial and temporal resolution Hα data from the New Vacuum Solar Telescope at the Fuxian Solar Observatory, we investigate the interaction between the second filament and the nearby “open” lines. The filament reconnected with the “open” lines, forming a new system. To our knowledge, the detailed process of this kind of interaction is reported for the first time. Then the new system rotated due to the untwisting motion of the filament, implying that the twist was transferred from the closed filament system to the “open” system. In addition, the twist seemed to propagate from the lower atmosphere to the upper layers and was eventually spread by the CME to the interplanetary space.
79 ASTRONOMY AND ASTROPHYSICS↗
Criticality and Phase Classification for Quadratic Open Quantum Many-Body Systems
Here we study the steady states of translation-invariant open quantum many-body systems governed by Lindblad master equations, where the Hamiltonian is quadratic in the ladder operators, and the Lindblad operators are either linear or quadratic and Hermitian. These systems are called quasifree and quadratic, respectively. We find that steady states of one-dimensional systems with finite-range interactions necessarily have exponentially decaying Green’s functions. For the quasifree case without quadratic Lindblad operators, we show that fermionic systems with finite-range interactions are noncritical for any number of spatial dimensions and provide bounds on the correlation lengths. Quasifree bosonic systems can be critical in D > 1 dimensions. Last, we address the question of phase transitions in quadratic systems and find that, without symmetry constraints beyond invariance under single-particle basis and particle-hole transformations, all gapped Liouvillians belong to the same phase.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Local quantum uncertainty guarantees the measurement precision for two coupled two-level systems in non-Markovian environment
Quantum Fisher information (QFI) is an important feature for the precision of quantum parameter estimation based on the quantum Cramér–Rao inequality. When the quantum state satisfies the von Neumann–Landau equation, the local quantum uncertainty (LQU), as a kind of quantum correlation, present in a bipartite mixed state guarantees a lower bound on QFI in the optimal phase estimation protocol (Girolami et al., 2013). However, in the open quantum systems, there is not an explicit relation between LQU and QFI generally. In this paper, we study the relation between LQU and QFI in open systems which is composed of two interacting two-level systems coupled to independent non-Markovian environments with the entangled initial state embedded by a phase parameter θ. The analytical calculations show that the QFI does not depend on the phase parameter θ, and its decay can be restrained through enhancing the coupling strength or non-Markovianity. Meanwhile, the LQU is related to the phase parameter θ and shows plentiful phenomena. In particular, we find that the LQU can well bound the QFI when the coupling between the two systems is switched off or the initial state is Bell state.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
The Earth System Grid Federation : an Open Infrastructure for Access to Distributed Geospatial Data
The Earth System Grid Federation (ESGF) is a multi-agency, international collaboration that aims at developing the software infrastructure needed to facilitate and empower the study of climate change on a global scale. The ESGF's architecture employs a system of geographically distributed peer nodes, which are independently administered yet united by the adoption of common federation protocols and application programming interfaces (APIs). The cornerstones of its interoperability are the peer-to-peer messaging that is continuously exchanged among all nodes in the federation; a shared architecture and API for search and discovery; and a security infrastructure based on industry standards (OpenID, SSL, GSI and SAML). The ESGF software is developed collaboratively across institutional boundaries and made available to the community as open source. It has now been adopted by multiple Earth science projects and allows access to petabytes of geophysical data, including the entire model output used for the next international assessment report on climate change (IPCC-AR5) and a suite of satellite observations (obs4MIPs) and reanalysis data sets (ANA4MIPs).
search,↗
A fractional calculus framework for open quantum dynamics: From Liouville to Lindblad to memory kernels
Open quantum systems exhibit dynamics ranging from unitary evolution to irreversible dissipation. While the Gorini–Kossakowski–Sudarshan–Lindblad equation uniquely characterizes Markovian completely positive and trace-preserving (CPTP) evolution, many physical platforms display non-Markovian features such as algebraic relaxation and coherence backflow. Fractional calculus provides a natural way to model such long-memory behavior through power-law temporal kernels introduced by fractional time derivatives. Here, we develop a unified framework that embeds fractional master equations within the broader hierarchy of open-system formalisms. The fractional equation forms a structured subclass of memory-kernel models, reduces to the Lindblad form at unit order, and, through Bochner–Phillips subordination, admits a CPTP representation as an average over Lindblad semigroups. Its resolvent structure further connects fractional dynamics to established non-Markovian approaches, including Nakajima–Zwanzig kernels and hierarchical equations of motion, providing a compact surrogate for long-memory effects. This formulation positions fractional calculus as a rigorous and practical language for modeling non-Markovian quantum dynamics in chemical physics and physical chemistry, providing a CPTP-preserving, computationally efficient surrogate for structured condensed-phase environments where long-time memory and dissipation play a central role.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Determination of reaction flux from concentration fluctuations near a Hopf bifurcation
Small open chemical systems, typically associated with far-from-equilibrium, nonlinear stochastic dynamics, offer the appropriate framework to elucidate biological phenomena at the cellular scale. Stochastic differential equations of Langevin-type are employed to establish the relation between the departure from equilibrium and the time cross-correlation functions of concentration fluctuations for chemical species susceptible to oscillate. Except in the immediate vicinity of the Hopf bifurcation, the results are in agreement with simulations of the chemical master equation but always differ from the prediction obtained for linear deterministic dynamics. In general, the magnitude of the asymmetry of time correlation functions definitely depends on the reaction flux circulating in an open system but also on the details of the nonlinearities of deterministic dynamics.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Design and Verification of An Open-Circuit Electro-Hydraulic Actuator System with An Integrated Electro-Hydraulic Unit
This paper proposes an electro-hydraulic actuator (EHA) system, and two novel-designed electro-hydraulic units (EHU) consisting of a fixed-displacement hydraulic pump and a variable-speed electric motor. Both the novel EHU designs integrate an electric machine and a hydraulic machine in a single unit, featuring compactness and power density. However, they differ for salient aspects such as power and electric machine cooling system. The EHA system features an open circuit design, where hydraulic hoses connect the EHU with a tank, a valve manifold, and the hydraulic cylinder. In this way, the proposed EHA technology can be used to implement distributed hydraulic actuation in a vehicle without requiring changes to the hydraulic actuators or at the overall layout of the hydraulic components with respect to the original vehicle design. A dedicated test rig is developed to verify the performance of the proposed EHA system. The efficiency of the EHA is measured in a steady state and under a realistic duty cycle of a commercial compact loader. The measured efficiency of the system can reach 54% with up to 20kN load and 6kW power level.
42 ENGINEERING↗
Mapping spin contamination-free potential energy surfaces using restricted open-shell methods with Grassmannians
The Lagrange-based Grassmann interpolation (G-Int) method has been extended for open-shell systems using restricted open-shell methods in building spin contamination-free potential energy surfaces.
Chemistry↗
Reaction-diffusive dynamics of number-conserving dissipative quantum state preparation
The use of dissipation for the controlled creation of nontrivial quantum many-body correlated states is of much fundamental and practical interest. What is the result of imposing number conservation, which, in closed system, gives rise to diffusive spreading? For this work, we investigate this question for a paradigmatic model of a two-band system, with dissipative dynamics aiming to empty one band and to populate the other, which had been introduced before for the dissipative stabilization of topological states. Going beyond the mean-field treatment of the dissipative dynamics, we demonstrate the emergence of a diffusive regime for the particle and hole density modes at intermediate length- and timescales, which, interestingly, can only be excited in nonlinear response to external fields. We also identify processes that limit the diffusive behavior of this mode at the longest length- and timescales. Strikingly, we find that these processes lead to a reaction-diffusion dynamics governed by the Fisher-Kolmogorov-Petrovsky-Piskunov equation, making the designed dark state unstable towards a state with a finite particle and hole density.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Complex scaling in finite volume
Quantum resonances, i.e., metastable states with a finite lifetime, play an important role in nuclear physics and other domains. Describing this phenomenon theoretically is generally a challenging task. In this work, we combine two established techniques to address this challenge. Complex scaling makes it possible to calculate resonances with bound-state-like methods. Finite-volume simulations exploit the fact that the infinite-volume properties of quantum systems are encoded in how discrete energy levels change as one varies the size of the volume. Herein we apply complex scaling to systems in finite periodic boxes and derive the volume dependence of states in this scenario, demonstrating with explicit examples how one can use these relations to infer infinite-volume resonance energies and lifetimes.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗