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At least 541 records · Page 30

Revisiting numerical real-space renormalization group for quantum lattice systems

Highlights: •A regularized scheme of the NRG algorithm is proposed. •The method overcomes the boundary obstacle in applying the NRG to quantum lattices. •Extension of the scheme to 2D lattices is illustrated. •Benchmark test on the Heisenberg antiferromagnet demonstrates its numerical validity. -- Abstract: Although substantial progress has been achieved in solving quantum impurity problems, the numerical renormalization group (NRG) method generally performs poorly when applied to quantum lattice systems in a real-space blocking form. The approach was thought to be unpromising for most lattice systems owing to its flaw in dealing with the boundaries of the block. Here the discovery of intrinsic prescriptions to cure interblock interactions is proposed which is able to clear up the boundary obstacle in applying the NRG to quantum lattice systems. While the resulting RG transformation turns out to be strict in the thermodynamic limit, benchmark tests of the algorithm on a one-dimensional Heisenberg antiferromagnet and a two-dimensional tight-binding model demonstrate its numerical efficiency in resolving low-energy spectra for finite lattice systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Combined experimental and numerical evaluation of a prototype nano-PCM enhanced wallboard

In the United States, forty-eight (48) percent of the residential end-use energy consumption is spent on space heating and air conditioning. Reducing envelope-generated heating and cooling loads through application of phase change material (PCM)-enhanced building envelopes can facilitate maximizing the energy efficiency of buildings. Combined experimental testing and numerical modeling of PCM-enhanced envelope components are two important aspects of the evaluation of their energy benefits. An innovative phase change material (nano-PCM) was developed with PCM encapsulated with expanded graphite (interconnected) nanosheets, which is highly conductive for enhanced thermal storage and energy distribution, and is shape-stable for convenient incorporation into lightweight building components. A wall with cellulose cavity insulation and prototype PCM-enhanced interior wallboards was built and tested in a natural exposure test (NET) facility in a hot-humid climate location. The test wall contained PCM wallboards and regular gypsum wallboard, for a side-by-side annual comparison study. Further, numerical modeling of the walls containing the nano-PCM wallboard was performed to determine its actual impact on wall-generated heating and cooling loads. The model was first validated using experimental data, and then used for annual simulations using Typical Meteorological Year (TMY3) weather data. This article presents the measured performance and numerical analysis evaluating the energy-saving potential of the nano-PCM-enhanced wallboard.

finite element analysis↗

Numerical and experimental analysis of precooled desiccant system

This paper presents a numerical and experimental study of four novel, desiccant air-conditioning systems based on pre-cooling of the ambient air. The purpose of the study is to: 1) establish which configuration is most profitable for the future studies through numerical and experimental methods; 2) verify the concept of precooled system and confirm that it is working in experimental conditions (for this purpose two prototypes of evaporative cooling units were developed and compared for different operation arrangements with desiccant wheel); 3) Analyze practical aspects of the systems, which includes water consumption analysis, economic analysis and establishing operational modes during a cooling season in temperate climate conditions (the proposed solution has a significant advantage during operation in a temperate climate, since it can utilize its first evaporative cooler the only source of cooling energy when the humidity of outdoor air allows to to meet the latent cooling load). Four arrangements of the system with different dew point evaporative air cooler prototypes were selected and developed for comparative analysis. The system was simulated as a whole, also, each component was individually tested on measurement station. develop the optimal arrangement of the system through numerical and experimental analysis. Four different performance indicators were considered: thermal COP (Coefficient Of Performance), the ERR (Energy Efficiency Ratio), coefficient a describing the potential in compensating indoor cooling loads, water consumption ratio. Also costs of the systems were compared through economic analysis. It was established that arrangement which is characterized by best-averaged performance in terms of all considered factors is a unit combined with two different types of evaporative coolers (marked as System B)- this is caused by the favorable arrangement of two units, where one is better suited to the pre-cooler role, while the other is better suited as the post-cooler.

42 ENGINEERING↗

On the competitive antagonism effect in combined chloride-sulfate attack: A numerical exploration

Highlights: • A chemo-physical-mechanical method based on thermodynamic modelling is implemented. • The contradicting findings from reported experiments are numerically explored. • The competitive antagonism effect is time-dependent rather than a conclusive term. • The competitive antagonism effect is quantifiable with a novel assessment criterion. It is of tremendous difficulty to draw a conclusive verdict on the complex process of mutual interference regarding the combined chloride-sulfate attack on concrete, where many have explored the topic, but contradicting results have been reported. In this paper, by taking advantages of the chemo-physical-mechanical method, based on the robust technique of thermodynamic modelling, the competitive antagonism effect in combined chloride-sulfate attack is investigated. Firstly, a range of reported tests are numerically modelled to demonstrate the effectiveness of the employed method in interpreting those opposing and diverse experimental outcomes. More importantly, a fresh conjecture incorporating a novel assessment criterion for the competitive antagonism effect is proposed and supported through a carefully designed illustrative example. Based on the numerical exploration, unique findings and implications for future engineering practices are revealed.

36 MATERIALS SCIENCE↗

A new model for two-dimensional numerical simulation of pseudo-2D gas-solids fluidized beds

Pseudo-two dimensional (pseudo-2D) fluidized beds, for which the thickness of the system is much smaller than the other two dimensions, is widely used to perform fundamental studies on bubble behavior, solids mixing, or clustering phenomenon in different gas-solids fluidization systems. The abundant data from such experimental systems are very useful for numerical model development and validation. However, it has been reported that two-dimensional (2D) computational fluid dynamic (CFD) simulations of pseudo-2D gas-solids fluidized beds usually predict poor quantitative agreement with the experimental data, especially for the solids velocity field. In this paper, a new model is proposed to improve the 2D numerical simulations of pseudo-2D gas-solids fluidized beds by properly accounting for the frictional effect of the front and back walls. Two previously reported pseudo-2D experimental systems were simulated with this model. Compared to the traditional 2D simulations, significant improvements in the numerical predictions have been observed and the predicted results are in better agreement with the available experimental data.

42 ENGINEERING↗

A hybrid meshfree discretization to improve the numerical performance of peridynamic models

Efficient and accurate calculation of spatial integrals is of major interest in the numerical implementation of peridynamics (PD). The standard way to perform this calculation is a particle-based approach that discretizes the strong form of the PD governing equation. This approach has rapidly been adopted by the PD community since it offers some advantages. Additionally, it is computationally cheaper than other available schemes, can conveniently handle material separation, and effectively deals with nonlinear PD models. Nevertheless, PD models are still computationally very expensive compared with those based on the classical continuum mechanics theory, particularly for large-scale problems in three dimensions. This results from the nonlocal nature of the PD theory which leads to interactions of each node of a discretized body with multiple surrounding nodes. Here, we propose a new approach to significantly boost the numerical efficiency of PD models. We propose a discretization scheme that employs a simple collocation procedure and is truly meshfree; i.e., it does not depend on any background integration cells. In contrast to the standard scheme, the proposed scheme requires a much smaller set of neighboring nodes (keeping the same physical length scale) to achieve a specific accuracy and is thus computationally more efficient. Our new scheme is applicable to the case of linear PD models and within neighborhoods where the solution can be approximated by smooth basis functions. Therefore, to fully exploit the advantages of both the standard and the proposed schemes, a hybrid discretization is presented that combines both approaches within an adaptive framework. The high performance of the developed framework is illustrated by several numerical examples, including brittle fracture and corrosion problems in two and three dimensions.

42 ENGINEERING↗

Numerical and experimental investigation of the flame kernel growth in a methane/air mixture near the lean flammability limit

Lean combustion has the potential to improve the thermal efficiency of spark-ignition engines, but it faces the significant challenge of increased cycle-to-cycle variation due to low mixture reactivity and unstable flame dynamics. Computational fluid dynamics (CFD) employing predictive models can guide engine design and optimize operating strategies for lean combustion. However, ignition and combustion models have rarely been validated at fuel-lean conditions, and a fundamental understanding of the early flame kernel growth process is also lacking for a successful sub-model development. Here, the present study develops a numerical simulation framework used to investigate early flame kernel growth in methane/air mixtures. A nanosecond-pulsed discharge (NPD) approach is employed to effectively decouple the flame kernel growth from the electrical discharge due to their difference in timescales, and equivalence ratios near the experimentally measured lean flammability limit (LFL) are selected to focus on challenging mixture conditions. Three numerical investigations, such as the choice of turbulence modeling, grid size, and grid control strategies, are examined to match both LFL and flame kernel structure measured from experiments. It is demonstrated that a quasi-direct numerical simulation (QDNS) with a fixed grid embedding of 10 μm can predict the LFL as φ CFD =0.61 and match the displacement speed of the kernel’s boundary marked in schlieren images. To predict the LFL and flame kernel shape, a fine grid (Δ≤12.5 μm) is needed to capture the consumption of formaldehyde (CH 2 O) in kernel’s reaction branches attached to the anode, and adaptive mesh refinement is replaced with the fixed embedding due to loss of simulation accuracy. Also, it is found that a large-eddy simulation (LES) using the Dynamic Structure model is not suitable for the NPD-induced flame kernel simulation because artificial sub-grid turbulent kinetic energy induced by shock dynamics alters the flow velocity calculation, resulting in divergence of LES from QDNS. Lastly, the simulation well matches the experimental data for the flame kernel evolution in three mixture conditions (φ = 0.7, 0.61, 0.55), showing toroidal flame kernel expansion and flame kernel growth/extinction.

33 ADVANCED PROPULSION SYSTEMS↗

An improved numerical method to compute neutron/gamma deexcitation cascades starting from a high spin state

Numerous nuclear processes involve the deexcitation of a compound nucleus through the emission of several neutrons, gamma-rays and/or conversion electrons. The characteristics of such a deexcitation are commonly derived from a total statistical framework often called “Hauser–Feshbach” method. In this work, we highlight a numerical limitation of this kind of method in the case of the deexcitation of a high spin initial state. To circumvent this issue, an improved technique called the Fluctuating Structure Properties (FSP) method is presented. Two FSP algorithms are derived and benchmarked on the calculation of the total radiative width for a thermal neutron capture on 238 U. We compare the standard method with these FSP algorithms for the prediction of particle multiplicities in the deexcitation of a high spin level of 143 Ba. The gamma multiplicity turns out to be very sensitive to the numerical method. The bias between the two techniques can reach 1.5 γγ/cascade. Lastly, the uncertainty of these calculations coming from the lack of knowledge on nuclear structure is estimated via the FSP method.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

MITNS: Multiple-Ion Transport Numerical Solver for magnetized plasmas

MITNS (Multiple-Ion Transport Numerical Solver) is a new numerical tool designed to perform 1D simulations of classical cross-field transport in magnetized plasmas. Furthermore, its detailed treatment of multi-species effects makes it a unique tool in the field. We describe the physical model it simulates, as well as its numerical implementation and performance.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A provably stable numerical method for the anisotropic diffusion equation in confined magnetic fields

We present a novel numerical method for solving the anisotropic diffusion equation in magnetic fields confined to a periodic box which is accurate and provably stable. We derive energy estimates of the solution of the continuous initial boundary value problem. A discrete formulation is presented using operator splitting in time with the summation by parts finite difference approximation of spatial derivatives for the perpendicular diffusion operator. Weak penalty procedures are derived for implementing both boundary conditions and parallel diffusion operator obtained by field line tracing. We prove that the fully-discrete approximation is unconditionally stable. Discrete energy estimates are shown to match the continuous energy estimate given the correct choice of penalty parameters. A nonlinear penalty parameter is shown to provide an effective method for tuning the parallel diffusion penalty and significantly minimises rounding errors. Several numerical experiments, using manufactured solutions, the “NIMROD benchmark” problem and a single island problem, are presented to verify numerical accuracy, convergence, and asymptotic preserving properties of the method. Finally, we present a magnetic field with chaotic regions and islands and show the contours of the anisotropic diffusion equation reproduce key features in the field.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Low-cost phase change material as an energy storage medium in building envelopes: Experimental and numerical analyses

A promising approach to increasing the energy efficiency of buildings is the implementation of a phase change material (PCM) in the building envelope. Numerous studies over the last two decades have reported the energy saving potential of PCMs in building envelopes, but their wide application has been inhibited, in part, by their high cost. This article describes a novel PCM made of naturally occurring fatty acids/glycerides trapped into high density polyethylene (HDPE) pellets and its performance in a building envelope application. The PCM-HDPE pellets were mixed with cellulose insulation and then added to an exterior wall of a test building in a hot and humid climate, and tested over a period of several months, To demonstrate the efficacy of the PCM-enhanced cellulose insulation in reducing the building envelope heat gains and losses, side-by-side comparison was performed with another wall section filled with cellulose-only insulation. Further, numerical modeling of the test wall was performed to determine the actual impact of the PCM-HDPE pellets on wall-generated heating and cooling loads and the associated electricity consumption. The model was first validated using experimental data and then used for annual simulations using typical meteorological year (TMY3) weather data. Furthermore, this article presents the experimental data and numerical analyses showing the energy-saving potential of the new PCM.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Numerical investigation of the pressure-dependence of yield sooting indices for n-alkane and aromatic species

The pressure-dependence of the Yield Sooting Index (YSI), as a measure of sooting tendency, is numerically investigated for pressures ranging from 1 atm to 15 atm. Straight-chain alkanes, including ethane, propane, n-hexane, n-heptane, and n-dodecane, and aromatic species, including benzene, toluene, xylene, and ethylbenzene, are selected as test fuels. A detailed chemical mechanism is used for all test fuels considered, and a flamelet-based YSI simulation methodology is employed, where the YSI values are computed based on the Polycyclic Aromatic Hydrocarbon (PAH) dimer production rate at each pressure. It is found that the maximum flame centerline soot volume fraction increases with increasing pressure for all test compounds. However, the pressure dependence of the maximum soot volume fraction is similar for the hydrocarbons within the same class (n-alkane or aromatics). As a consequence, the YSI values computed at pressures up to 15 atm show only small deviations from their values computed and measured at atmospheric pressure. These results suggest that YSI is robust also at elevated pressures, close to those found in practical combustion devices. This study is entirely based on numerical simulations without any experimental measurements available for direct validation. Experimental YSI measurements at high pressures would be required to fully confirm the conclusions reported in this manuscript. Still, our numerical results provide some guidelines for the design of such experiments in the future.

42 ENGINEERING↗

Numerical modeling of hydrogen mixing in a direct-injection engine fueled with gaseous hydrogen

Hydrogen is considered as one of the most promising options to achieve effective decarbonization of the energy and transportation sectors. As such, it has recently been receiving increasing attention because of its promising potential as an energy carrier for advanced energy and propulsion systems. With a focus on internal combustion engines, direct injection (DI) of gaseous hydrogen during the compression stroke offers great potential for high engine efficiency and specific power while reducing the risk of backfiring and pre-ignition issues. Therefore, many experimental and numerical efforts have recently been dedicated to understanding the physical and chemical behaviors of hydrogen in engine during mixing and combustion. This study focuses on computational fluid dynamics (CFD) modeling of the hydrogen DI process in a hydrogen optical research engine. Under the conditions studied, gaseous hydrogen is injected into the combustion chamber via a centrally located single-hole injector at a pressure of 100 bar. Two configurations, namely low-and high-tumble, are investigated to understand the impact of different in-cylinder flow patterns on the fuel-air mixture preparation. Simulations are carried out using the commercial CFD software CONVERGE. Here, the in-cylinder turbulence is modeled with an unsteady Reynolds-averaged Navier-Stokes (URANS) formulation closed by the renormalization group (RNG) k-ε model. Several numerical methods and model constants, including but not limited to turbulent Schmidt number, are evaluated. The numerical results are systematically compared against experimental measurements of velocity and hydrogen concentration fields on the vertical center plane to assess the performance of the CFD model, unveil the physics of hydrogen mixing, and establish best practices for modeling hydrogen DI under relatively high injection pressure conditions.

33 ADVANCED PROPULSION SYSTEMS↗

How to sustain a CO 2 -thermosiphon in a partially saturated geothermal reservoir: Lessons learned from field experiment and numerical modeling

CO 2 has been proposed as a working fluid for geothermal energy production because of its ability to establish a self-sustaining CO 2 thermosiphon, taking advantage of the strong temperature dependence of CO 2 density. To test the concept of CO 2 heat extraction, in January 2015 a CO 2 thermosiphon was operated at the SECARB Cranfield Site, Cranfield, Mississippi, where a brine-saturated sand at a depth of 3.2 km has been under near continuous CO 2 flood since December 2009 as part of a U.S. Department of Energy demonstration of CO 2 sequestration, resulting in a partially saturated reservoir surrounding a well pair. The lateral distance between the producer and injector was 112 m at reservoir depth, a distance considered pre-commercial in scale, but great enough that thermal breakthrough was still not significant after several years of injection. Instead of producing power with a turbine, heat was extracted heat from recirculated fluid using a heat exchanger and portable chiller. The well field and surface equipment were instrumented to compare field observations with predicted responses from numerical models. Thermosiphon flow could be initiated by venting, but thereafter flow rate steadily declined, indicating that the thermosiphon was not sustainable. To model the system, the capability of T2Well, a fully coupled wellbore/reservoir numerical simulator, was expanded to enable simulation of the entire loop of fluid circulation in the fully-coupled system consisting of the injection/production wells, the reservoir, and the surface devices (heat exchanger, flow-rate regulator etc.). Combined with the newly developed TOUGH2 equation of state module called EOS7CMA, the enhanced T2 Well was used prior to the field experiment to simulate the circulation of a CO 2 -H 2 O-CH 4 mixture in a model geothermal system patterned after the Cranfield demonstration test. The model predicted that a sustainable thermosiphon could be achieved. After the field thermosiphon did not achieve the pre-test prediction of flow rates and thermosiphon sustainability, the numerical model was modified to improve realism and calibrate certain processes; it was then able to reproduce the major phenomena observed in the field. In a series of sensitivity studies, many factors were found that could potentially contribute to the failing of a sustainable thermosiphon. These factors could be categorized as two types: factors that increase the resistance to flow and factors that increase heat loss of the working fluid. In conclusion, the lessons learned can be applied to both future modeling and to achieving CO 2 -based geothermal reservoir exploitation.

15 GEOTHERMAL ENERGY↗

Numerical simulation of compressible fluid-dynamics in the chamber of inertial fusion energy systems

Here, this paper aims to establish new and innovative modeling capabilities for analyzing chambers in Inertial Fusion Energy (IFE) systems. IFE is emerging as a promising method to achieve fusion power production, but several challenges must be overcome to develop an IFE pilot plant or deploy commercial IFE systems. These challenges are both theoretical and technical, encompassing a deeper understanding of the underlying physical phenomena and the development of new technologies and materials. One of the needs is to develop mathematical models to describe IFE systems and numerical tools to simulate them. This paper contributes to this endeavor by presenting a new OpenFOAM solver for IFE systems, focusing on gas dynamics in their chambers. The analysis and development of chamber designs will play a significant role in the transition from single-shot experiments to high-repetition rates, as there is a need to protect the chamber walls from the intense radiation fields produced by fusion reactions. A promising design option, normally referred to as thick wall chamber design, consists in using lithium or molten salt jet arrays within the chamber. A critical phenomenon is the venting of high-pressure gases from the center to the external part of the chamber, passing through the blanket array. This process involves the propagation and attenuation of strong pressure waves, requiring suitable modeling approaches for compressible fluid-dynamics. The solver proposed in this work implements a multi-material hydrodynamics model tailored to accurately describe the non-linear propagation of pressure waves while avoiding numerical oscillation issues typical of high-velocity compressible simulation. This solver is verified against numerical test cases, validated against experimental data, and applied to the analysis of the High-Yield Lithium-Injection Fusion-Energy (HYLIFE-I) concept. The relevance of this paper is threefold. Firstly, it contributes to developing and testing modeling approaches for compressible fluid-dynamics phenomena, with specific focus on the new and unexplored topic of IFE thick-liquid-wall blanket modeling. Secondly, it marks one of the first applications of the OpenFOAM library in the research field of IFE systems. Finally, the investigated problem is of practical interest for IFE developers, as it provides useful indications about relevant phenomena in pressure wave propagation in the chamber of these systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Numerical investigation of vortex tubes with extended vortex chambers

Ranque–Hilsch vortex tubes are often utilized to produce cooling when a compressed air source is readily available. In comparison with traditional cooling technologies, vortex-tube devices are much simpler, since they do not have moving parts. However, their thermal efficiencies are also lower, so they are used primarily for industrial spot cooling. Several options to modify and improve vortex tube performance exist. While a lot of previous research efforts addressed optimization of the inlet and outlet components, the main tube variations have not been thoroughly explored beyond simple tapered tubes. In this paper we numerically investigate augmenting vortex tubes with cyclonic-type extensions of the vortex chambers. The computational fluid dynamics software STAR-CCM+ was utilized to simulate a typical counter-flow vortex tube operating with air. The numerical approach was validated via comparison to experimental studies available in the literature. A reasonably efficient high-capacity vortex tube design was parametrically analyzed. This setup and its several modifications were numerically modeled under selected external conditions. The configuration with an intermediate-size vortex chamber extension demonstrated the highest performance among the studied setups. This variant of the vortex tube was also predicted to perform better than the original system by about 15% in a range of cold-flow fractions.

08 HYDROGEN↗

Numerical modeling of injection, stress and permeability enhancement during shear stimulation at the Desert Peak Enhanced Geothermal System

Creation of an Enhanced Geothermal System relies on stimulation of fracture permeability through self-propping shear failure that creates a complex fracture network with high surface area for efficient heat transfer. In 2010, shear stimulation was carried out in well 27-15 at Desert Peak geothermal field, Nevada, by injecting cold water at pressure less than the minimum principal stress. An order-of-magnitude improvement in well injectivity was recorded. In this work, we describe a numerical model that accounts for injection-induced stress changes and permeability enhancement during this stimulation. We use the coupled thermo-hydrological–mechanical simulator FEHM to (i) construct a wellbore model for non-steady bottom-hole temperature and pressure conditions during the injection, and (ii) apply these pressures and temperatures as a source term in a numerical model of the stimulation. A Mohr–Coulomb failure criterion and empirical fracture permeability is developed to describe permeability evolution of the fractured rock. The numerical model is calibrated using laboratory measurements of material properties on representative core samples and wellhead records of injection pressure and mass flow during the shear stimulation. The model captures both the absence of stimulation at low wellhead pressure (WHP ≤1.7 and ≤2.4 MPa) as well as the timing and magnitude of injectivity rise at medium WHP (3.1 MPa). Results indicate that thermoelastic effects near the wellbore and the associated non-local stresses further from the well combine to propagate a failure front away from the injection well. Elevated WHP promotes failure, increases the injection rate, and cools the wellbore; however, as the overpressure drops off with distance, thermal and non-local stresses play an ongoing role in promoting shear failure at increasing distance from the well.

15 GEOTHERMAL ENERGY↗

A FFT-based numerical implementation of mesoscale field dislocation mechanics: Application to two-phase laminates

In this study, we present an enhanced crystal plasticity elasto-viscoplastic fast Fourier transform (EVPFFT) formulation coupled with a phenomenological Mesoscale Field Dislocation Mechanics (MFDM) theory here named MFDM-EVPFFT formulation. In contrast with classic CP-EVPFFT, the model is able to tackle plastic flow and hardening due to polar dislocation density distributions or geometrically necessary dislocations (GNDs) in addition to statistically stored dislocations (SSDs). The model also considers GND mobility through a GND density evolution law numerically solved with a recently developed filtered spectral approach, which is here coupled with stress equilibrium. The discrete Fourier transform method combined with finite differences is applied to solve both lattice incompatibility and Lippmann-Schwinger equations in an augmented Lagrangian numerical scheme. Numerical results are presented for two-phase laminate composites with plastic channels and elastic second phase. It is shown that both GND densities and slip constraint at phase boundaries influence the overall and local hardening behavior. In contrast with the CP-EVPFFT formulation, a channel size effect is predicted on the shear flow stress with the present MFDM-EVPFFT formulation. The size effect originates from the progressive formation of continuous screw GND pile-ups from phase boundaries to the channel center. The effect of GND mean free path on local and global responses is also examined for the two-phase composite.

36 MATERIALS SCIENCE↗