An open source massively parallel solver for Richards equation: Mechanistic modelling of water fluxes at the watershed scale

In this paper we present a massively parallel open source solver for Richards equation, named the RichardsFOAM solver. This solver has been developed in the framework of the open source generalist computational fluid dynamics tool box OpenFOAM (R) and is capable to deal with large scale problems in both space and time. The source code for RichardsFOAM may be downloaded from the CPC program library website. It exhibits good parallel performances (up to similar to 90% parallel efficiency with 1024 processors both in strong and weak scaling), and the conditions required for obtaining such performances are analysed and discussed. These performances enable the mechanistic modelling of water fluxes at the scale of experimental watersheds (up to few square kilometres of surface area), and on time scales of decades to a century. Such a solver can be useful in various applications, such as environmental engineering for long term transport of pollutants in soils, water engineering for assessing the impact of land settlement on water resources, or in the study of weathering processes on the watersheds. (C) 2014 Elsevier B.V. All rights reserved.

Modelling of transient heat conduction with diffuse interface methods

We present a survey on different numerical interpolation schemes used for two-phase transient heat conduction problems in the context of interface capturing phase-field methods. Examples are general transport problems in the context of diffuse interface methods with a non-equal heat conductivity in normal and tangential directions to the interface. We extend the tonsorial approach recently published by Nicoli M et al (2011 Phys. Rev. E 84 1-6) to the general three-dimensional (3D) transient evolution equations. Validations for one-dimensional, two-dimensional and 3D transient test cases are provided, and the results are in good agreement with analytical and numerical reference solutions.

Analytical evaluation of harmonic distortion factor corresponding to generalised advanced bus-clamping pulse width modulation

A few advanced bus-clamping pulse width modulation (ABCPWM) methods have been proposed recently for a three-phase inverter. With these methods, each phase is clamped, switched at nominal frequency, and switched at twice the nominal frequency in different regions of the fundamental cycle. This study proposes a generalised ABCPWM scheme, encompassing the few ABCPWM schemes that have been proposed and many more ABCPWM schemes that have not been reported yet. Furthermore, analytical closed-form expression is derived for the harmonic distortion factor corresponding to the generalised ABCPWM. This factor is independent of load parameters. The analytical expression derived here brings out the dependence of root-mean-square (RMS) current ripple on modulation index, and can be used to evaluate the RMS current ripple corresponding to any ABCPWM scheme. The analytical closed-form expression is validated experimentally in terms of measured weighted total harmonic distortion (THD) in line voltage (V-WTHD) and measured THD in line current (I-THD) on a 6 kW induction motor drive.

Identifying regions for conservation of sloth bears through occupancy modelling in north-eastern Karnataka, India

In the absence of information on species in decline with contracting ranges, management should emphasize remaining populations and protection of their habitats. Threatened by anthropogenic pressure including habitat degradation and loss, sloth bears (Melursus ursinus) in India have become limited in range, habitat, and population size. We identified ecological and anthropogenic determinants of occurrence within an occupancy framework to evaluate habitat suitability of non-protected regions (with sloth bears) in northeastern Karnataka, India. We employed a systematic sampling methodology to yield presence absence data to examine a priori hypotheses of determinants that affected occupancy. These covariates were broadly classified as habitat or anthropogenic factors. Mean number of termite mounds and trees positively influenced sloth bear occupancy, and grazing pressure expounded by mean number of livestock dung affected it negatively. Also, mean percentage of shrub coverage had no impact on bear inhabitance. The best fitting model further predicted habitats in Bukkasagara, Agoli, and Benakal reserved forests to have 38%, 75%, and 88%, respectively, of their sampled grid cells with high occupancies (>0.70) albeit little or no legal protection. We recommend a conservation strategy that includes protection of vegetation stand-structure, maintenance of soil moisture, and enrichment of habitat for the long-term welfare of this species.

Quantitative estimation of density variation in high-speed flows through inversion of the measured wavefront distortion

A simple method employing an optical probe is presented to measure density variations in a hypersonic flow obstructed by a test model in a typical shock tunnel. The probe has a plane light wave trans-illuminating the flow and casting a shadow of a random dot pattern. Local slopes of the distorted wavefront are obtained from shifts of the dots in the pattern. Local shifts in the dots are accurately measured by cross-correlating local shifted shadows with the corresponding unshifted originals. The measured slopes are suitably unwrapped by using a discrete cosine transform based phase unwrapping procedure and also through iterative procedures. The unwrapped phase information is used in an iterative scheme for a full quantitative recovery of density distribution in the shock around the model through refraction tomographic inversion. Hypersonic flow field parameters around a missile shaped body at a free-stream Mach number of 5.8 measured using this technique are compared with the numerically estimated values. (C) 2014 Society of Photo-Optical Instrumentation Engineers (SPIE)

Jacalin-carbohydrate interactions: distortion of the ligand molecule as a determinant of affinity

Jacalin is among the most thoroughly studied lectins. Its carbohydrate-binding site has also been well characterized. It has been postulated that the lower affinity of beta-galactosides for jacalin compared with beta-galactosides is caused by steric interactions of the substituents in the former with the protein. This issue has been explored energetically and structurally using different appropriate carbohydrate complexes of jacalin. It turns out that the earlier postulation is not correct. The interactions of the substituent with the binding site remain essentially the same irrespective of the anomeric nature of the substitution. This is achieved through a distortion of the sugar ring in beta-galactosides. The difference in energy, and therefore in affinity, is caused by a distortion of the sugar ring in beta-galactosides. The elucidation of this unprecedented distortion of the ligand as a strategy for modulating affinity is of general interest. The crystal structures also provide a rationale for the relative affinities of the different carbohydrate ligands for jacalin.

Modelling of soldier fly halteres for gyroscopic oscillations

Nature has evolved a beautiful design for small-scale vibratory rategyro in the form of dipteran halteres that detect body rotations via Coriolis acceleration. In most Diptera, including soldier fly, Hermetia illucens, halteres are a pair of special organs, located in the space between the thorax and the abdomen. The halteres along with their connecting joint with the fly's body constitute a mechanism that is used for muscle-actuated oscillations of the halteres along the actuation direction. These oscillations lead to bending vibrations in the sensing direction (out of the haltere's actuation plane) upon any impressed rotation due to the resulting Coriolis force. This induced vibration is sensed by the sensory organs at the base of the haltere in order to determine the rate of rotation. In this study, we evaluate the boundary conditions and the stiffness of the anesthetized halteres along the actuation and the sensing direction. We take several cross-sectional SEM (scanning electron microscope) images of the soldier fly haltere and construct its three dimensional model to get the mass properties. Based on these measurements, we estimate the natural frequency along both actuation and sensing directions, propose a finite element model of the haltere's joint mechanism, and discuss the significance of the haltere's asymmetric cross-section. The estimated natural frequency along the actuation direction is within the range of the haltere's flapping frequency. However, the natural frequency along the sensing direction is roughly double the haltere's flapping frequency that provides a large bandwidth for sensing the rate of rotation to the soldier flies.

REDUCED ORDER MODELLING OF COMBUSTION INSTABILITY IN A BACKWARD FACING STEP COMBUSTOR

This paper develops a fully coupled time domain Reduced Order Modelling (ROM) approach to model unsteady combustion dynamics in a backward facing step combustor The acoustic field equations are projected onto the canonical acoustic eigenmodes of the systems to obtain a coupled system of modal evolution equations. The heat release response of the flame is modelled using the G-equation approach. Vortical velocity fluctuations that arise due to shear layer rollup downstream of the step are modelled using a simplified 1D-advection equation whose phase speed is determined from a linear, local, temporal stability analysis of the shear layer just downstream of the step. The hydrodynamic stability analysis reveals a abrupt change in the value of disturbance phase speed from unity for Re < Re-crit to 0.5 for Re > Re-crit, where Remit for the present geometry was found to be approximate to 10425. The results for self-excited flame response show highly wrinkled flame shapes that are qualitatively similar to those seen in prior experiments of acoustically forced flames. The effect of constructive and destructive interference between the two contributions to flame surface wrinkling results in high amplitude wrinkles for the case when K-c -> 1.

Investigation of dielectric relaxation, Jahn-Teller distortion, and magnetic ordering in Y substituted Pr1-xYxMnO3 (0.1 <= x <= 0.4)

We report structural, magnetic, and dielectric properties of the perovskite compound Pr1-xYxMnO3 (0.1 <= x <= 0.4) studied using dc magnetization, ac susceptibility, neutron powder diffraction, and dielectric techniques. These compounds crystallize in orthorhombic space group (Pnma) in the temperature range 5-300 K. The Mn-O-Mn bond angle decreases with the Y substitution along with an increase in the Jahn-Teller distortion. The Jahn-Teller distortion for Pr0.9Y0.1MnO3 shows an anomalous change near 50 K, below which it falls sharply. Neutron powder diffraction patterns of all reported compositions at low temperature constitute additional magnetic Bragg peaks that suggest magnetic ordering. Magnetic reflections were indexed in the nuclear lattice with the propagation vector k = (0, 0, 0). Rietveld refinement of powder patterns conform to A type antiferromagnetic ordering where moments are aligned ferromagnetically in a-c plane and coupled nearly antiferromagnetically along b-axis resulting in a net ferromagnetic component along the b-direction. The antiferromagnetic transition temperature was deduced from dc magnetization and ac susceptibility data. The transition temperature decreases by nearly 22 K (from 81 K to 59 K) as yttrium content (x) increases from 0.1 to 0.4. Measurements reveal strong frequency dispersion in dielectric constant and dielectric loss. Activation energy and relaxation time are estimated from the Arrhenius plot. It is further shown that relaxation behaviour is altered with yttrium doping concentration. (C) 2015 AIP Publishing LLC.

Hybrid Elements for Modelling Squeeze Film Effects Coupled with Structural Interactions in Vibratory MEMS Devices

We present a hybrid finite element based methodology to solve the coupled fluid structure problem of squeeze film effects in vibratory MEMS devices, such as gyroscopes, RF switches, and 2D resonators. The aforementioned devices often have a thin plate like structure vibrating normally to a fixed substrate, and are generally not perfectly vacuum packed. This results in a thin air film being trapped between the vibrating plate and the fixed substrate which behaves like a squeeze film offering both stiffness and damping. For accurate modelling of such devices the squeeze film effects must be incorporated. Extensive literature is available on squeeze film modelling, however only a few studies address the coupled fluid elasticity problem. The majority of the studies that account for the plate elasticity coupled with the fluid equation, either use approximate mode shapes for the plate or use iterative solution strategies. In an earlier work we presented a single step coupled methodology using only one type of displacement based element to solve the coupled problem. The displacement based finite element models suffer from locking issues when it comes to modelling very thin structures with the lateral dimensions much larger than the plate thickness as is typical in MEMS devices with squeeze film effects. In this work we present another coupled formulation where we have used hybrid elements to model the structural domain. The numerical results show a huge improvement in convergence and accuracy with coarse hybrid mesh as compared to displacement based formulations. We further compare our numerical results with experimental data from literature and find them to be in good accordance.

Multi-scale modelling of Suzuki segregation in gamma' precipitates in Ni and Co-base superalloys

The high temperature strength of alloys with (gamma +gamma') microstructure is primarily due to the resistance of the ordered precipitate to cutting by matrix dislocations. Such shearing requires higher stresses since it involves the creation of a planar fault. Planar fault energy is known to be dependent on composition. This implies that the composition on the fault may be different from that in the bulk for energetic reasons. Such segregation (or desegregation) of specific alloying elements to the fault may result in Suzuki strengthening which has not been explored extensively in these systems. In this work, segregation (or desegregation) of alloying elements to planar faults was studied computationally in Ni-3(Al, Ti) and Co-3(W, Al) type gamma' precipitates. The composition dependence of APB energy and heat of mixing were evaluated from first principle electronic structure calculations. A phase field model incorporating the first principles results, was used to simulate the motion of an extended superdislocation under stress concurrently with composition evolution. Results reveal that in both systems, significant (de) segregation occurs on equilibration. On application of stress, solutes were dragged along with the APB in some cases. Additionally, it was also noted the velocity of the superdislocation under an applied stress is strongly dependent on atomic mobility (i. e. diffusivity).

Modelling ternary effects on antiphase boundary energy of Ni3Al

The shearing of ordered gamma' precipitates by matrix dislocations results in the formation of antiphase boundaries (APB) in Ni-base superalloys. The APB energy is an important source of order-strengthening in disk and blade alloys where Ti and Ta substitute for Al in gamma'. While the importance of APB energy is well-acknowledged, the effect of alloying on APB energy is not fully understood. In the present study, the effect of Ti and Ta additions on the {111} and {010} APB energies was probed via electronic structure calculations. Results suggest that at low levels of Ti/Ta, APB energies on either plane increases with alloying. However, at higher Ti/Ta levels, the APB energies decrease with alloying. These trends understood by accounting for nearest neighbour violations about the APB and additionally, invoking the effect of precipitate composition on the energy penalty of the violations. We propose an Environment Dependent Nearest Neighbour Bond (EDNNB) model that predicts APB energies that are in close agreement to calculated values.

Investigations on Optimal Pulse-Width Modulation to Minimize Total Harmonic Distortion in the Line Current

PWM waveforms with positive voltage transition at the positive zero crossing of the fundamental voltage (type-A) are generally considered for PWM waveform with even number of switching angles per quarter whereas, waveforms with negative voltage transition at the positive zero crossing (type-B) are considered for odd number of switching angles per quarter. Optimal PWM, for minimization of total harmonic distortion of line to line (VWTHD), is generally solved with the aforementioned criteria. This paper establishes that a combination of both types of waveforms gives better performance than any individual type in terms of minimum VWTHD for complete range of modulation index (M). Optimal PWM for minimum VWTHD is solved for PWM waveforms with pulse numbers (P) of 5 and 7. Both type-A and type-B waveforms are found to be better in different ranges of M. The theoretical findings are confirmed through simulation and experimental results on a 3.7 kW squirrel cage induction motor in an open-loop V/f drive. Further, the optimal PWM is analysed from a space vector point of view.

Modelling the influence of land-use changes on biophysical and biochemical interactions at regional and global scales

Land-use changes since the start of the industrial era account for nearly one-third of the cumulative anthropogenic CO2 emissions. In addition to the greenhouse effect of CO2 emissions, changes in land use also affect climate via changes in surface physical properties such as albedo, evapotranspiration and roughness length. Recent modelling studies suggest that these biophysical components may be comparable with biochemical effects. In regard to climate change, the effects of these two distinct processes may counterbalance one another both regionally and, possibly, globally. In this article, through hypothetical large-scale deforestation simulations using a global climate model, we contrast the implications of afforestation on ameliorating or enhancing anthropogenic contributions from previously converted (agricultural) land surfaces. Based on our review of past studies on this subject, we conclude that the sum of both biophysical and biochemical effects should be assessed when large-scale afforestation is used for countering global warming, and the net effect on global mean temperature change depends on the location of deforestation/afforestation. Further, although biochemical effects trigger global climate change, biophysical effects often cause strong local and regional climate change. The implication of the biophysical effects for adaptation and mitigation of climate change in agriculture and agroforestry sectors is discussed. center dot Land-use changes affect global and regional climates through both biochemical and biophysical process. center dot Climate effect from biophysical process depends on the location of land-use change. center dot Climate mitigation strategies such as afforestation/reforestation should consider the net effect of biochemical and biophysical processes for effective mitigation. center dot Climate-smart agriculture could use bio-geoengineering techniques that consider plant biophysical characteristics such as reflectivity and water use efficiency.