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At least 1,369 records · Page 76

A Practical Approach of Mining Operational Risks in Cigeo - A field-test - 19349

Andra is currently completing the detailed engineering phase of the stepwise design development of Cigeo (the French HLW and IL-LLW Deep Geological Repository, aka DGR). Various technical issues are at stake, including the risk management requirements linked to the safety of 'Mining Operations' (i.e. occupational safety issues related to underground excavation/dismantling works at some 500 m of depth), at different stages of the DGR life cycle (i.e. from its construction start-up to its final closure and future monitoring/or conversely a decision of waste retrieval). These occupational safety requirements have a significant impact on Cigeo's design, its progressive construction and later closure. On a shorter term, one must demonstrate that the design bases are technically sound and that the solutions selected (to build, operate, close the DGR infrastructures or conversely retrieve the waste) are both feasible and safe. In that sense (and following an identification of operational risks during construction), Andra focused on two sensitive cases: - The construction of large diameter drift crossings, in particular those related to the connection between a transfer drift (main) and a IL-LLW disposal vault (i.e. during construction operations), - The partial dismantling of a drift concrete lining (made of concrete segment rings, erected and placed by a TBM) at time of construction of a horizontal seal (i.e. during closure operations). The discussion starts with a description of the geotechnical conditions prevailing at the (French) Bure site, in the Callovo-Oxfordian (COx) claystone formation. Then the paper presents the Cigeo underground architecture (at large) and the specific structural choices made (at the end of the detailed engineering phase) for drifts, disposal vaults and seals. The discussion on construction - deconstruction challenges for each of the critical issues cited above provides an opportunity to explain the operational sequences (and how the methodology selected enables to reduce the risks). The following part of the paper focuses the technological demonstration (an in-situ test to be planned in detail) of a partial dismantling of the concrete segments rings forming the support lining of two tunnels previously built in the Meuse/Haute-Marne URL (Underground Research Laboratory) infrastructures, combined with the construction of a specific drift crossing. In this dismantling and construction test, the technical demonstration objective is three-fold: - The capacity to lay down compressible arch segments and support (by bolts and mesh) the rock after the lining removal, - The capacity to excavate and line the drift crossing, - The structural / geomechanical behavior (evolution with time) of the rock and lining compared with that of 'neighboring' zones. This paper provides a timeline of the tests. Should the results obtained deliver some positive perspectives of technical feasibility (and convincing operational safety) Andra will incorporate this dismantling/construction solution in the 'design freeze' of the DGR underground infrastructures. The positive outcomes of this technical test campaign will also provide 'elements of proof' for the instruction of the Cigeo licensing (a process likely to take place between 2020 and 2024) by the French Nuclear Safety Authority (ASN). (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Single Bubble Drag Force Evaluation in Turbulent Flow based on DNS Results

Two-phase turbulent flows are widely encountered in the light water reactor engineering. The interaction between liquid phase and gas phase is bi-directional: the liquid turbulence influences the dispersion and distribution of the bubbles which in turn modulates the liquid turbulence with bubble-induced turbulence. Considering a single bubble, the effect of homogeneous turbulent flow is to modify the drag force compared to that in laminar flow. The bubble can modify the homogeneous turbulence through formation of vorticities behind the bubble. The correct description of the closure laws for the interfacial forces is of great importance in numerical simulation of bubbly flows. Various closure laws for the drag coefficient have been proposed in the literature in the last few decades. Among them, Tomiyama proposed a widely accepted correlation based on spherical bubbles in pure systems. While the development of closure model for two-phase laminar flow has reached a certain level of confidence, more studies and investigations are required for turbulent flows. In this paper, we want to numerically analyze the influence of homogeneous turbulent flow on the drag force experienced by a single bubble and compare its behavior with the laminar flow conditions based on Tomiyama's correlation. A set of parametric studies will be performed to justify the relationship between typical two-phase turbulent flow parameters and drag force. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

The Potential of Computational Fluid Dynamics Simulation on Serial Monitoring of Hemodynamic Change in Type B Aortic Dissection

PurposeWe aimed to assess the potential of computational fluid dynamics simulation (CFD) in detecting changes in pressure and flow velocity in response to morphological changes in type B aortic dissection.Materials and MethodsPressure and velocity in four morphological models of type B aortic dissection before and after closure of the entry tear were calculated with CFD and analyzed for changes among the different scenarios. The control model (Model 1) was patient specific and built from the DICOM data of CTA, which bore one entry tear and three re-entry tears. Models 2–4 were modifications of Model 1, with two re-entry tears less in Model 2, one re-entry tear more in Model 3, and a larger entry tear in Model 4.ResultsThe pressure and velocity pertaining to each of the morphological models were unique. Changes in pressure and velocity findings were accountable by the changes in morphological features of the different models. There was no blood flow in the false lumen across the entry tear after its closure, the blood flow direction across the re-entry tears was reversed after closure of the entry tear.ConclusionCFD simulation is probably useful to detect hemodynamic changes in the true and false lumens of type B aortic dissection in response to morphological changes, it may potentially be developed into a non-invasive and patient-specific tool for serial monitoring of hemodynamic changes of type B aortic dissection before and after treatment.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Toward Predictive RANS and SRS Computations of Turbulent External Flows of Practical Interest

In this work, we investigate the main challenges to prediction of turbulent external flows of practical interest with Reynolds-Averaged Navier–Stokes equations (RANS) and Scale-Resolving Simulation (SRS) models. This represents a crucial step toward further developing and establishing these formulations so they can be confidently utilized in engineering problems without reference data. The study initiates by identifying the major challenges to prediction. A literature review is performed to illustrate their effects in RANS and SRS computations. Afterward, we evaluate the impact of the challenges to prediction by analyzing representative statistically steady and unsteady flows with prominent RANS and SRS methods. These include multiple turbulent viscosity and second-moment RANS closures, and hybrid and bridging SRS models. The results demonstrate the potential of the selected SRS models to predict engineering flows. Yet, they also show the importance of considering the challenges to prediction during the setup and conduction of numerical experiments. These can suppress the advantages of using SRS formulations. The data also indicate that only SRS models can confidently predict statistically unsteady flows. In contrast, the results demonstrate that mean-flow quantities of statistically steady flows can be efficiently calculated with RANS closures, especially second-moment closures. Among the selected SRS methods, bridging models reveal better suited for prediction due to their ability to prevent commutation errors and enable the robust evaluation of numerical and modeling errors. This last property allows the use of a new validation technique that does not require reference data.

42 ENGINEERING↗

Drake passage and central american seaway controls on the distribution of the oceanic carbon reservoir

A coupled carbon/climate model is used to explore the impact of Drake Passage opening and Central American Seaway closure on the distribution of carbon in the global oceans. We find that gateway evolution likely played an important role in setting the modern day distribution of oceanic dissolved inorganic carbon (DIC), which is currently characterized by relatively low concentrations in the Atlantic ocean, and high concentrations in the Southern, Indian, and Pacific oceans. In agreement with previous studies, we find a closed Drake Passage in the presence of an open Central American Seaway results in suppressed Atlantic meridional overturning and enhanced southern hemispheric deep convection. Opening of the Drake Passage triggers Antarctic Circumpolar Current flow and a weak Atlantic meridional overturning circulation (AMOC). Subsequent Central American Seaway closure reinforces the AMOC while also stagnating equatorial Pacific subsurface waters. These gateway-derived oceanographic changes are reflected in large shifts to the global distribution of DIC. An initially closed Drake Passage results in high DIC concentrations in the Atlantic and Arctic oceans, and lower DIC concentrations in the Pacific/Indian/Southern oceans. Opening Drake Passage reverses this gradient by lowering mid-depth Atlantic and Arctic DIC concentrations and raising deep Pacific/Indian/Southern Ocean DIC concentrations. Central American Seaway closure further reinforces this trend through additional Atlantic mid-depth DIC decreases, as well as Pacific mid-depth DIC concentration increases, with the net effect being a transition to a modern distribution of oceanic DIC.

54 ENVIRONMENTAL SCIENCES↗

CFD-DEM and PR-DNS studies of low-temperature densely packed beds

Over the past few decades, granular media is gaining attention as a viable option for heat transfer fluids (HTFs). Several research efforts are studying the use of particle-based heat transfer fluids in a wide variety of applications. With this motivation, the current work focusses on analyzing the different heat transfer mechanisms in low-temperature mono-sized densely packed granular media. To study the heat transfer behavior of granular media at different scales, the current work employs a two-way coupled computational strategy. The motion of particles is solved using the Discrete Element Method (DEM) and the interstitial air is solved using a Finite-Volume (CFD) approach. The Open-Source library CFDEM Coupling® is used in the current study to join the Finite Volume PISO solver of OpenFOAM® and the DEM solver of LIGGGHTS®. Typically, particle-particle contact conduction and particle-air convection are the most popular closure models. But recent research identified a different heat transfer phenomenon in packed beds that cannot be identified by conduction or convection models. While closure models were developed to implement this on a CFD-DEM framework, they did not capture the effect of intra-particulate thermal gradients on this phenomenon. Hence the current work also employs Particle-Resolved Direct Numerical Simulations (PR-DNS) to gain valuable insights allowing for the modification of existing models. A new closure model is then proposed here and is implemented in the CFD-DEM framework. This model provides key insights into the different heat transfer mechanism of packed beds.

42 ENGINEERING↗

Low-stress creep behavior of multiple salt caverns under cyclic operations

Here, the use of multiple salt caverns for large-scale underground hydrogen storage offers a strategic solution to the growing demand for efficient and flexible energy storage, due to the inherent low permeability, high mechanical strength, and self-healing properties of the salt formation. Despite these advantages, the long-term geomechanical response of salt caverns under cyclic injection and withdrawal remains a significant challenge for ensuring operational stability. This mechanistic study highlights the critical role of low-stress creep, also known as pressure solution creep, in governing deformation of salt caverns during cyclic operations. Unlike conventional creep mechanisms that dominate under high-stress conditions, low-stress creep becomes particularly relevant under the moderate stress changes induced by repeated injection and withdrawal, which provides a previously underexplored control on cavern closure. Our three-dimensional computational model integrates the low-stress creep mechanism into the Munson–Dawson creep equation across a spectrum of operational scenarios including variations in cavern pressure cycles, injection-withdrawal frequencies, and caprock mechanical property. The low-stress creep components accelerate the cavern creep closure, which is amplified with shorter cycle frequency and larger pressure difference. Sensitivity analyses capture the complex interactions between multiple caverns and surround formations at the field scale that allows for a quantitative assessment of deformation patterns and closure rates over time and thereby informs the design and operation of sustainable underground hydrogen storage system.

Cyclic operation↗

An asymptotic-preserving Lagrangian algorithm for the time-dependent anisotropic heat transport equation

We propose a Lagrangian numerical algorithm for a time-dependent, anisotropic temperature transport equation in magnetized plasmas in the large guide field regime. The approach is based on an analytical integral formal solution of the parallel (i.e., along the magnetic field) transport equation with sources, and it is able to accommodate both local and non-local parallel heat flux closures. The numerical implementation is based on an operator-split formulation, with two straightforward steps: a perpendicular transport step (including sources), and a Lagrangian (field-line integral) parallel transport step. Algorithmically, the first step is amenable to the use of modern iterative methods, while the second step has a fixed cost per degree of freedom (and is therefore scalable). Accuracy-wise, the approach is free from the numerical pollution introduced by the discrete parallel transport term when the perpendicular to parallel transport coefficient ratio X ⊥ /X ∥ becomes arbitrarily small, and is shown to capture the correct limiting solution when ε = X⊥L 2 ∥ /X1L 2 ⊥ → 0 (with L∥∙ L⊥ , the parallel and perpendicular diffusion length scales, respectively). Therefore, the approach is asymptotic-preserving. We demonstrate the capabilities of the scheme with several numerical experiments with varying magnetic field complexity in two dimensions, including the case of transport across a magnetic island.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Predictive RANS simulations via Bayesian Model-Scenario Averaging

The turbulence closure model is the dominant source of error in most Reynolds-Averaged Navier–Stokes simulations, yet no reliable estimators for this error component currently exist. Here we develop a stochastic, a posteriori error estimate, calibrated to specific classes of flow. It is based on variability in model closure coefficients across multiple flow scenarios, for multiple closure models. The variability is estimated using Bayesian calibration against experimental data for each scenario, and Bayesian Model-Scenario Averaging (BMSA) is used to collate the resulting posteriors, to obtain a stochastic estimate of a Quantity of Interest (QoI) in an unmeasured (prediction) scenario. The scenario probabilities in BMSA are chosen using a sensor which automatically weights those scenarios in the calibration set which are similar to the prediction scenario. The methodology is applied to the class of turbulent boundary-layers subject to various pressure gradients. For all considered prediction scenarios the standard-deviation of the stochastic estimate is consistent with the measurement ground truth. Furthermore, the mean of the estimate is more consistently accurate than the individual model predictions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Realizability-preserving DG-IMEX method for the two-moment model of fermion transport

Building on the framework of Zhang & Shu [1], [2], we develop a realizability-preserving method to simulate the transport of particles (fermions) through a background material using a two-moment model that evolves the angular moments of a phase space distribution function f . The two-moment model is closed using algebraic moment closures; e.g., as proposed by Cernohorsky & Bludman [3] and Banach & Larecki [4]. Variations of this model have recently been used to simulate neutrino transport in nuclear astrophysics applications, including core-collapse supernovae and compact binary mergers. We employ the discontinuous Galerkin (DG) method for spatial discretization (in part to capture the asymptotic diffusion limit of the model) combined with implicit-explicit (IMEX) time integration to stably bypass short timescales induced by frequent interactions between particles and the background. Appropriate care is taken to ensure the method preserves strict algebraic bounds on the evolved moments (particle density and flux) as dictated by Pauli's exclusion principle, which demands a bounded distribution function (i.e., f ϵ [0,1]). This realizability-preserving scheme combines a suitable CFL condition, a realizability-enforcing limiter, a closure procedure based on Fermi-Dirac statistics, and an IMEX scheme whose stages can be written as a convex combination of forward Euler steps combined with a backward Euler step. The IMEX scheme is formally only first-order accurate, but works well in the diffusion limit, and — without interactions with the background — reduces to the optimal second-order strong stability-preserving explicit Runge-Kutta scheme of Shu & Osher [5]. Numerical results demonstrate the realizability-preserving properties of the scheme. As a result, we also demonstrate that the use of algebraic moment closures not based on Fermi-Dirac statistics can lead to unphysical moments in the context of fermion transport.

97 MATHEMATICS AND COMPUTING↗

Improving the modeling of near-wall interphase heat transfer in porous media models of Pebble Bed Reactors

Here, this work aims to improve capabilities for modeling localized effects in porous media models of Pebble Bed Reactors. The wall-channeling effect is the primary local phenomenon of interest in a PBR, where the presence of the reflector wall disrupts the pebble packing, causing the pebbles near the wall to pack less efficiently and creating large void regions. Accurate modeling of the near-wall region is important as it will affect core bypass flow and temperature predictions. Porous media models are commonly used for design scoping and plant-level simulations of PBRs. Although these models have some capabilities to model the near-wall region, the correlations that are available in porous media codes are often inaccurate when a multi-region model is used to discretize the near-wall region. This work employs a high-to-low analysis to study the accuracy of available interphase heat transfer closures. NekRS, a spectral element computational fluid dynamics code, is used to perform Large Eddy Simulations. These LES simulation results are compared to porous media model results from the Pronghorn porous media code. The friction term of the KTA drag closure is first improved, reducing the error in the prediction of the near-wall velocity from over 50% to less than 5%. This is combined with improvements to the form term from previous works to produce a drag closure that is capable of accurately modeling the wall-channeling effect across a variety of flow conditions. The Nusselt number predictions of several heat transfer correlations are compared to the high-fidelity results where it is found that the KTA heat transfer correlation is capable of accurately predicting the local Nusselt numbers that were determined in the high-fidelity simulation. Comparison of the radial solid temperature profiles, however, reveal discrepancies between NekRS and Pronghorn. It is discovered that the implementation of the interphase heat transfer coefficient that exists in many current porous media codes is not valid when local porosities are modeled. Instead, it is suggested that the interphase heat transfer coefficient should be dependent on the local porosity, the Nusselt number, and the local solid surface-to-volume ratio. Implementation of this change produces improvement in the agreement between the results obtained by NekRS and Pronghorn while using the KTA heat transfer correlation.

interphase heat transfer↗

Interrogating the Grainyhead-like 2 ($Grhl2$) genomic locus identifies an enhancer element that regulates palatogenesis in mouse

The highly-conserved Grainyhead-like (Grhl) transcription factors are critical regulators of embryogenesis that regulate cellular survival, proliferation, migration and epithelial integrity, especially during the formation of the craniofacial skeleton. Family member Grhl2 is expressed throughout epithelial tissues during development, and loss of Grhl2 function leads to significant defects in neurulation, abdominal wall closure, formation of the face and fusion of the maxilla/palate. Whereas numerous downstream target genes of Grhl2 have been identified, very little is known about how this crucial developmental transcription factor itself is regulated. Using in silico and in utero expression analyses and functional deletion in mice, we have identified a novel 2.4 kb enhancer element (mm1286) that drives reporter gene expression in a pattern that strongly recapitulates endogenous Grhl2 in the craniofacial primordia, modulates Grhl2expression in these tissues, and augments Grhl2-mediated closure of the secondary palate. Deletion of this genomic element, in the context of inactivation of one allele of Grhl (through generation of double heterozygous Grhl2 +/- ;mm1286 +/- mice), results in a significant predisposition to palatal clefting at birth. Moreover, we found that a highly conserved 325 bp region of mm1286 is both necessary and sufficient for mediating the craniofacial-specific enhancer activity of this region, and that an extremely well-conserved 12-bp sequence within this element (CTGTCAAACAGGT) substantially determines full enhancer function. Together, these data provide valuable new insights into the upstream genomic regulatory landscape responsible for transcriptional control of Grhl2 during palatal closure.

59 BASIC BIOLOGICAL SCIENCES↗

A dehydrated, aseptically-processed human amnion/chorion allograft accelerates healing in a delayed murine excisional wound model

Since chronic, non-healing wounds represent an increasing source of economic and temporal burden for patients who suffer from them and healthcare professionals that treat them, therapeutic modalities that promote closure of delayed and non-healing wounds are of utmost importance. Recent clinical results of allografts derived from amnion and chorion placental layers encourage further investigation of the mechanisms underlying clinical efficacy of these products for treatment of wounds. Here, we utilized a diabetic murine splinted excisional wound model to investigate the effects of a dehydrated human amnion/chorion-derived allograft (dHACA) on delayed wound healing, as well as the effects of dehydrated allograft derived solely from amnion tissue of the same donor. We examined wound healing by histological endpoint analysis, and we assessed other parameters relevant to functional wound healing in the wound bed including angiogenesis, macrophage phenotypes, proliferative activity, and gene expression. Herein we demonstrate that application of dHACA to a murine diabetic model of delayed wound progression results in better macroscale wound resolution outcomes, including rate of closure, compared to unaided wound progression, while dehydrated human amnion allograft (dHAA) fails to improve outcomes. Improved gross wound resolution observed with dHACA was accompanied by increased granulation tissue formation, proliferation and vascular ingrowth observed in the wound bed, early macrophage polarization towards anti-inflammatory phenotypes, and downregulation of pro-fibrotic gene expression. Overall, our data suggest that improvements in the rates of delayed wound closure observed from combined amnion/chorion allografts are associated with modulation of critical cellular and tissue processes commonly found to be dysregulated in delayed healing wounds, including proliferation, vascularization, inflammation, and re-epithelialization.

60 APPLIED LIFE SCIENCES↗

The Water Balance Representation in Urban‐PLUMBER Land Surface Models

Abstract Urban Land Surface Models (ULSMs) simulate energy and water exchanges between the urban surface and atmosphere. However, earlier systematic ULSM comparison projects assessed the energy balance but ignored the water balance, which is coupled to the energy balance. Here, we analyze the water balance representation in 19 ULSMs participating in the Urban‐PLUMBER project using results for 20 sites spread across a range of climates and urban form characteristics. As observations for most water fluxes are unavailable, we examine the water balance closure, flux timing, and magnitude with a score derived from seven indicators expecting better scoring models to capture the latent heat flux more accurately. We find that the water budget is only closed in 57% of the model‐site combinations assuming closure when annual total incoming fluxes (precipitation and irrigation) fluxes are within 3% of the outgoing (all other) fluxes. Results show the timing is better captured than magnitude. No ULSM has passed all water balance indicators for any site. Models passing more indicators do not capture the latent heat flux more accurately refuting our hypothesis. While output reporting inconsistencies may have negatively affected model performance, our results indicate models could be improved by explicitly verifying water balance closure and revising runoff parameterizations. By expanding ULSM evaluation to the water balance and related to latent heat flux performance, we demonstrate the benefits of evaluating processes with direct feedback mechanisms to the processes of interest.

Jongen, H. J.↗

Locating the missing large-scale emission in the jet of M87* with short EHT baselines

In very-long baseline interferometric arrays, nearly co-located stations probe the largest scales and typically cannot resolve the observed source. In the absence of a large-scale structure, closure phases constructed with these stations are zero and, since they are independent of station-based errors, they can be used to probe data issues. Here, we show how these trivial closure phases become nonzero with a brightness distribution on smaller scales than their short baseline would suggest. When applied to sources that are made up of a bright compact and large-scale diffuse component, the trivial closure phases directly measure the centroid relative to the compact source and higher-order image moments. We present a technique to measure these image moments with minimal model assumptions and validate it on synthetic Event Horizon Telescope (EHT) data. We then apply this technique to 2017 and 2018 EHT observations of M87* and find a weak preference for extended emission in the direction of the large-scale jet. We also apply it to 2021 EHT data and measure the source centroid about 1 mas northwest of the compact ring, which is consistent with the jet observed at lower frequencies.

79 ASTRONOMY AND ASTROPHYSICS↗

A review of pressure anisotropy caused by electron trapping in collisionless plasma, and its implications for magnetic reconnection

From spacecraft data, it is evident that electron pressure anisotropy develops in collisionless plasmas. This is in contrast to the results of theoretical investigations, which suggest this anisotropy should be limited. Common for such theoretical studies is that the effects of electron trapping are not included; simply speaking, electron trapping is a non-linear effect and is, therefore, eliminated when utilizing the standard methods for linearizing the underlying kinetic equations. Here, we review our recent work on the anisotropy that develops when retaining the effects of electron trapping. A general analytic model is derived for the electron guiding center distribution f(v{sub ∥},v{sub ⊥}) of an expanding flux tube. The model is consistent with anisotropic distributions observed by spacecraft, and is applied as a fluid closure yielding anisotropic equations of state for the parallel and perpendicular components (relative to the local magnetic field direction) of the electron pressure. In the context of reconnection, the new closure accounts for the strong pressure anisotropy that develops in the reconnection regions. It is shown that for generic reconnection in a collisionless plasma nearly all thermal electrons are trapped, and dominate the properties of the electron fluid. A new numerical code is developed implementing the anisotropic closure within the standard two-fluid framework. The code accurately reproduces the detailed structure of the reconnection region observed in fully kinetic simulations. These results emphasize the important role of pressure anisotropy for the reconnection process. In particular, for reconnection geometries characterized by small values of the normalized upstream electron pressure, β{sub e∞}, the pressure anisotropy becomes large with p{sub ∥}≫p{sub ⊥} and strong parallel electric fields develop in conjunction with this anisotropy. The parallel electric fields can be sustained over large spatial scales and, therefore, become important for electron acceleration.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

High spin spectroscopy of near spherical nuclei: Role of intruder orbitals

High spin states of nuclei in the vicinity of neutron shell closure N = 82 and proton shell closure Z = 82 have been studied using the Clovere Ge detectors of Indian National Gamma Array. The shape driving effects of proton and neutron unique parity intruder orbitals for the structure of nuclei around the above shell closures have been investigated using light and heavy ion beams. Lifetime measurements of excited states in {sup 139}Pr have been done using pulsed-beam-γ coincidence technique. The prompt spectroscopy of {sup 207}Rn has been extended beyond the 181μs 13/2{sup +} isomer. Neutron-rich nuclei around {sup 132}Sn have been produced from proton induced fission of {sup 235}U and lifetime measurement of low-lying states of odd-odd {sup 132}I have been performed from offline decay.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

On a theory of stability for nonlinear stochastic chemical reaction networks

We present elements of a stability theory for small, stochastic, nonlinear chemical reaction networks. Steady state probability distributions are computed with zero-information (ZI) closure, a closure algorithm that solves chemical master equations of small arbitrary nonlinear reactions. Stochastic models can be linearized around the steady state with ZI-closure, and the eigenvalues of the Jacobian matrix can be readily computed. Eigenvalues govern the relaxation of fluctuation autocorrelation functions at steady state. Autocorrelation functions reveal the time scales of phenomena underlying the dynamics of nonlinear reaction networks. In accord with the fluctuation-dissipation theorem, these functions are found to be congruent to response functions to small perturbations. Significant differences are observed in the stability of nonlinear reacting systems between deterministic and stochastic modeling formalisms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗