scholarly journals Weakly-Interacting Bose-Bose Mixtures from the Functional Renormalisation Group

2021 ◽  
Author(s):  
Felipe Isaule ◽  
Ivan Morera
Keyword(s):  
Three Dimensional ◽  
Renormalisation Group ◽  
Bose Gases ◽  
Infinite Population ◽  
Weakly Interacting ◽  
Complete Discussion ◽  
Population Imbalance ◽  
Ground State Energies ◽  
Detailed Presentation ◽  
Good Agreement

We provide a detailed presentation of the functional renormalisation group (FRG) approach to weakly-interacting Bose-Bose mixtures, including a complete discussion on the RG equations. To test this approach, we examine thermodynamic properties of balanced three-dimensional Bose-Bose gases at zero and finite temperatures and find a good agreement with related works. We also study ground-state energies of repulsive Bose polarons by examining mixtures in the limit of infinite population imbalance. Finally, we discuss future applications of the FRG to novel problems in Bose-Bose mixtures and related systems.

VARIATIONAL DESCRIPTION OF WEAKLY INTERACTING BOSE GASES IN 3 DIMENSIONS

2006 ◽  
Vol 20 (30n31) ◽  
pp. 5061-5070
Author(s):  
F. MAZZANTI ◽  
M. SAARELA ◽  
V. APAJA
Keyword(s):  
Structure Function ◽  
Excited States ◽  
Hard Spheres ◽  
Dynamic Properties ◽  
Dynamic Structure ◽  
Basis Functions ◽  
Three Dimensions ◽  
Bose Gases ◽  
Weakly Interacting ◽  
Good Agreement

Static and dynamic properties of a weakly interacting Bose gas of Hard Spheres in three dimensions are studied in the framework of the Correlated Basis Functions (CBF) approximation. Results are compared with explicit expressions for the same quantities derived within the Bogoliubov model. Despite the good agreement in the energy of the groundstate and the excited states, other quantities such as the dynamic structure function present important differences that become more significant when the density is raised.

A Free Energy Perturbation Approach to Estimate the Intrinsic Solubilities of Drug-like Small Molecules

2019 ◽  
Author(s):  
Sayan Mondal ◽  
Gary Tresadern ◽  
Jeremy Greenwood ◽  
Byungchan Kim ◽  
Joe Kaus ◽  
...  
Keyword(s):  
Solid State ◽  
Small Molecules ◽  
Three Dimensional ◽  
Aqueous Solubility ◽  
Computational Approach ◽  
Free Energy Perturbation ◽  
Perturbation Approach ◽  
Energy Perturbation ◽  
State Form ◽  
Good Agreement

<p>Optimizing the solubility of small molecules is important in a wide variety of contexts, including in drug discovery where the optimization of aqueous solubility is often crucial to achieve oral bioavailability. In such a context, solubility optimization cannot be successfully pursued by indiscriminate increases in polarity, which would likely reduce permeability and potency. Moreover, increasing polarity may not even improve solubility itself in many cases, if it stabilizes the solid-state form. Here we present a novel physics-based approach to predict the solubility of small molecules, that takes into account three-dimensional solid-state characteristics in addition to polarity. The calculated solubilities are in good agreement with experimental solubilities taken both from the literature as well as from several active pharmaceutical discovery projects. This computational approach enables strategies to optimize solubility by disrupting the three-dimensional solid-state packing of novel chemical matter, illustrated here for an active medicinal chemistry campaign.</p>

scholarly journals Simulation of Thermal and Electric Field Distribution in Packaged Sausages Heated in a Stationary Versus a Rotating Microwave Oven

Foods ◽  
2021 ◽  
Vol 10 (7) ◽  
pp. 1622
Author(s):  
Wipawee Tepnatim ◽  
Witchuda Daud ◽  
Pitiya Kamonpatana
Keyword(s):  
Temperature Distribution ◽  
Electric Field ◽  
Three Dimensional ◽  
Development Stage ◽  
Microwave Oven ◽  
Computational Time ◽  
Plastic Package ◽  
Heating Uniformity ◽  
The Cost ◽  
Good Agreement

The microwave oven has become a standard appliance to reheat or cook meals in households and convenience stores. However, the main problem of microwave heating is the non-uniform temperature distribution, which may affect food quality and health safety. A three-dimensional mathematical model was developed to simulate the temperature distribution of four ready-to-eat sausages in a plastic package in a stationary versus a rotating microwave oven, and the model was validated experimentally. COMSOL software was applied to predict sausage temperatures at different orientations for the stationary microwave model, whereas COMSOL and COMSOL in combination with MATLAB software were used for a rotating microwave model. A sausage orientation at 135° with the waveguide was similar to that using the rotating microwave model regarding uniform thermal and electric field distributions. Both rotating models provided good agreement between the predicted and actual values and had greater precision than the stationary model. In addition, the computational time using COMSOL in combination with MATLAB was reduced by 60% compared to COMSOL alone. Consequently, the models could assist food producers and associations in designing packaging materials to prevent leakage of the packaging compound, developing new products and applications to improve product heating uniformity, and reducing the cost and time of the research and development stage.

scholarly journals 3D-Volume Rendering of the Pelvis with Emphasis on Paraurethral Structures Based on MRI Scans and Comparisons between 3D Slicer and OsiriX®

2021 ◽  
Vol 45 (3) ◽  
Author(s):  
C. M. Durnea ◽  
S. Siddiqi ◽  
D. Nazarian ◽  
G. Munneke ◽  
P. M. Sedgwick ◽  
...  
Keyword(s):  
Image Processing ◽  
Secondary Analysis ◽  
Three Dimensional ◽  
3D Models ◽  
Clinical Role ◽  
Cross Sectional ◽  
3D Slicer ◽  
Mri Scans ◽  
3D Volume ◽  
Good Agreement

AbstractThe feasibility of rendering three dimensional (3D) pelvic models of vaginal, urethral and paraurethral lesions from 2D MRI has been demonstrated previously. To quantitatively compare 3D models using two different image processing applications: 3D Slicer and OsiriX. Secondary analysis and processing of five MRI scan based image sets from female patients aged 29–43 years old with vaginal or paraurethral lesions. Cross sectional image sets were used to create 3D models of the pelvic structures with 3D Slicer and OsiriX image processing applications. The linear dimensions of the models created using the two different methods were compared using Bland-Altman plots. The comparisons demonstrated good agreement between measurements from the two applications. The two data sets obtained from different image processing methods demonstrated good agreement. Both 3D Slicer and OsiriX can be used interchangeably and produce almost similar results. The clinical role of this investigation modality remains to be further evaluated.

scholarly journals Experimental and Numerical Investigation about Small Clearance Journal Bearings under Static Load Conditions

2020 ◽  
Vol 2020 ◽  
pp. 1-13
Author(s):  
Carlo Alberto Niccolini Marmont Du Haut Champ ◽  
Fabrizio Stefani ◽  
Paolo Silvestri
Keyword(s):  
Three Dimensional ◽  
Journal Bearings ◽  
Radial Clearance ◽  
Small Scale ◽  
Test Rig ◽  
Small Clearance ◽  
Dimensional Simulation ◽  
Dynamic Loading Conditions ◽  
Static And Dynamic Loading ◽  
Good Agreement

The aim of the present research is to characterize both experimentally and numerically journal bearings with low radial clearances for rotors in small-scale applications (e.g., microgas turbines); their diameter is in the order of ten millimetres, leading to very small dimensional clearances when the typical relative ones (order of 1/1000) are employed; investigating this particular class of journal bearings under static and dynamic loading conditions represents something unexplored. To this goal, a suitable test rig was designed and the performance of its bearings was investigated under steady load. For the sake of comparison, numerical simulations of the lubrication were also performed by means of a simplified model. The original test rig adopted is a commercial rotor kit (RK), but substantial modifications were carried out in order to allow significant measurements. Indeed, the relative radial clearance of RK4 RK bearings is about 2/100, while it is around 1/1000 in industrial bearings. Therefore, the same original RK bearings are employed in this new test rig, but a new shaft was designed to reduce their original clearance. The new custom shaft allows to study bearing behaviour for different clearances, since it is equipped with interchangeable journals. Experimental data obtained by this test rig are then compared with further results of more sophisticated simulations. They were carried out by means of an in-house developed finite element (FEM) code, suitable for thermoelasto-hydrodynamic (TEHD) analysis of journal bearings both in static and dynamic conditions. In this paper, bearing static performances are studied to assess the reliability of the experimental journal location predictions by comparing them with the ones coming from already validated numerical codes. Such comparisons are presented both for large and small clearance bearings of original and modified RKs, respectively. Good agreement is found only for the modified RK equipped with small clearance bearings (relative radial clearance 8/1000), as expected. In comparison with two-dimensional lubrication analysis, three-dimensional simulation improves prediction of journal location and correlation with experimental results.

scholarly journals A NEW APPROACH TO DYNAMIC FINITE-SIZE SCALING

2003 ◽  
Vol 14 (07) ◽  
pp. 945-954 ◽  
Author(s):  
MEHMET DİLAVER ◽  
SEMRA GÜNDÜÇ ◽  
MERAL AYDIN ◽  
YİĞİT GÜNDÜÇ
Keyword(s):  
Three Dimensional ◽  
Finite Size ◽  
Taylor Series Expansion ◽  
Scaling Behavior ◽  
Dynamic Scaling ◽  
Finite Size Scaling ◽  
New Approach ◽  
Size Scaling ◽  
Dynamic Exponent ◽  
Good Agreement

In this work we have considered the Taylor series expansion of the dynamic scaling relation of the magnetization with respect to small initial magnetization values in order to study the dynamic scaling behavior of two- and three-dimensional Ising models. We have used the literature values of the critical exponents and of the new dynamic exponent x0 to observe the dynamic finite-size scaling behavior of the time evolution of the magnetization during early stages of the Monte Carlo simulation. For the three-dimensional Ising model we have also presented that this method opens the possibility of calculating z and x0 separately. Our results show good agreement with the literature values. Measurements done on lattices with different sizes seem to give very good scaling.

Heat and Mass Diffusion Including Shrinkage and Hygrothermal Stress during Drying of Holed Ceramics Bricks

2011 ◽  
Vol 312-315 ◽  
pp. 971-976 ◽  
Author(s):  
J. Barbosa da Silva ◽  
G. Silva Almeida ◽  
W.C.P. Barbosa de Lima ◽  
Gelmires Araújo Neves ◽  
Antônio Gilson Barbosa de Lima
Keyword(s):  
Moisture Content ◽  
Three Dimensional ◽  
Average Moisture Content ◽  
Stress Distributions ◽  
Drying Process ◽  
Convective Boundary ◽  
Volume Method ◽  
Hygrothermal Stress ◽  
Thermo Physical Properties ◽  
Good Agreement

The Aim of this Work Is to Present a Three-Dimensional Mathematical Modelling to Predict Heat and Mass Transport inside the Industrial Brick with Rectangular Holes during the Drying Including Shrinkage and Hygrothermalelastic Stress Analysis. the Numerical Solution of the Diffusion Equation, Being Used the Finite-Volume Method, Considering Constant Thermo-Physical Properties and Convective Boundary Conditions at the Surface of the Solid, it Is Presented and Analyzed. Results of the Temperature, Moisture Content and Stress Distributions, and Drying and Heating Kinetics Are Shown and Analyzed. Results of the Average Moisture Content and Surface Temperature of the Brick along the Drying Process Are Compared with Experimental Data (T = 80.0oC and RH = 4.6 %) and Good Agreement Was Obtained. it Was Verified that the Largest Temperature, Moisture Content and Stress Gradients Are Located in the Intern and External Vertexes of the Brick.

APPLICATION OF A NEW HAMILTONIAN OF INTERACTION TO THREE-DIMENSIONAL STRUCTURES

2004 ◽  
Vol 18 (09) ◽  
pp. 1351-1368
Author(s):  
ANDREI DOLOCAN ◽  
VOICU OCTAVIAN DOLOCAN ◽  
VOICU DOLOCAN
Keyword(s):  
Experimental Data ◽  
Cohesive Energy ◽  
Noble Gases ◽  
Three Dimensional ◽  
The Other ◽  
Ionic Crystals ◽  
Coupling Constant ◽  
Good Agreement

Using a new Hamiltonian of interaction we have calculated the cohesive energy in three-dimensional structures. We have found the news dependences of this energy on the distance between the atoms. The obtained results are in a good agreement with experimental data in ionic, covalent and noble gases crystals. The coupling constant γ between the interacting field and the atoms is somewhat smaller than unity in ionic crystals and is some larger than unity in covalent and noble gases crystals. The formulae found by us are general and may be applied, also, to the other types of interactions, for example, gravitational interactions.

scholarly journals The relationship between photometric and spectroscopic oscillation amplitudes from 3D stellar atmosphere simulations

2021 ◽  
Author(s):  
Yixiao Zhou ◽  
Thomas Nordlander ◽  
Luca Casagrande ◽  
Meridith Joyce ◽  
Yaguang Li ◽  
...  
Keyword(s):  
Radial Velocity ◽  
Three Dimensional ◽  
Quantitative Relationship ◽  
Stellar Atmospheres ◽  
Spectral Lines ◽  
Wavelength Shift ◽  
The Sun ◽  
Theoretical Derivation ◽  
Velocity Amplitude ◽  
Good Agreement

Abstract We establish a quantitative relationship between photometric and spectroscopic detections of solar-like oscillations using ab initio, three-dimensional (3D), hydrodynamical numerical simulations of stellar atmospheres. We present a theoretical derivation as proof of concept for our method. We perform realistic spectral line formation calculations to quantify the ratio between luminosity and radial velocity amplitude for two case studies: the Sun and the red giant ε Tau. Luminosity amplitudes are computed based on the bolometric flux predicted by 3D simulations with granulation background modelled the same way as asteroseismic observations. Radial velocity amplitudes are determined from the wavelength shift of synthesized spectral lines with methods closely resembling those used in BiSON and SONG observations. Consequently, the theoretical luminosity to radial velocity amplitude ratios are directly comparable with corresponding observations. For the Sun, we predict theoretical ratios of 21.0 and 23.7 ppm/[m s−1] from BiSON and SONG respectively, in good agreement with observations 19.1 and 21.6 ppm/[m s−1]. For ε Tau, we predict K2 and SONG ratios of 48.4 ppm/[m s−1], again in good agreement with observations 42.2 ppm/[m s−1], and much improved over the result from conventional empirical scaling relations which gives 23.2 ppm/[m s−1]. This study thus opens the path towards a quantitative understanding of solar-like oscillations, via detailed modelling of 3D stellar atmospheres.

Use of a three-dimensional model to predict heavy metal (copper) fluxes in the Oujiang estuary

2014 ◽  
Vol 69 (6) ◽  
pp. 1334-1343 ◽  
Author(s):  
Shasha Lu ◽  
Ruijie Li ◽  
Xiaoming Xia ◽  
Jun Zheng
Keyword(s):  
River Discharge ◽  
Water Surface ◽  
Three Dimensional ◽  
Measured Data ◽  
Dimensional Model ◽  
Three Dimensional Model ◽  
Pollutant Concentrations ◽  
Suspended Sediment Concentrations ◽  
Adsorption Desorption ◽  
Good Agreement

Measuring pollutant concentrations in major tributaries is the standard method for establishing pollutant fluxes to the sea. However, this method is costly and difficult, and may be subject to a great deal of uncertainty due to the presence of unknown sources. This uncertainty presents challenges to managers and scientists in reducing contaminant discharges to water bodies. As one less costly method, a three-dimensional model was developed and used to predict pollutant fluxes to the sea. The sorptive contaminant model was incorporated into hydrodynamic and sediment models. Adsorption–desorption of copper by sediments in the Oujiang estuary were described using Henry's law. The model was validated using measured data for water surface elevations, flow velocity/direction, suspended sediment concentrations, and the proportion of copper sorbed to sediment. The validated model was then applied to predict fluxes of copper. Combined with the measured data, the copper concentration in the Oujiang River discharge was calculated as 13.0 μg/L and copper fluxes were calculated as 52 t in 2010. This copper flux prediction was verified using measured dissolved copper concentrations. Comparisons between the modeled and measured results showed good agreement at most stations, demonstrating that copper flux prediction in the Oujiang estuary was reasonably accurate.

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