An efficient surrogate model for emulation and physics extraction of large eddy simulations

In the quest for advanced propulsion and power-generation systems, high-fidelity simulations are too computationally expensive to survey the desired design space, and a new design methodology is needed that combines engineering physics, computer simulations and statistical modeling. In this paper, we propose a new surrogate model that provides efficient prediction and uncertainty quantification of turbulent flows in swirl injectors with varying geometries, devices commonly used in many engineering applications. The novelty of the proposed method lies in the incorporation of known physical properties of the fluid flow as {simplifying assumptions} for the statistical model. In view of the massive simulation data at hand, which is on the order of hundreds of gigabytes, these assumptions allow for accurate flow predictions in around an hour of computation time. To contrast, existing flow emulators which forgo such simplications may require more computation time for training and prediction than is needed for conducting the simulation itself. Moreover, by accounting for coupling mechanisms between flow variables, the proposed model can jointly reduce prediction uncertainty and extract useful flow physics, which can then be used to guide further investigations.Comment: Submitted to JASA A&C

JETSPIN: a specific-purpose open-source software for simulations of nanofiber electrospinning

We present the open-source computer program JETSPIN, specifically designed to simulate the electrospinning process of nanofibers. Its capabilities are shown with proper reference to the underlying model, as well as a description of the relevant input variables and associated test-case simulations. The various interactions included in the electrospinning model implemented in JETSPIN are discussed in detail. The code is designed to exploit different computational architectures, from single to parallel processor workstations. This paper provides an overview of JETSPIN, focusing primarily on its structure, parallel implementations, functionality, performance, and availability.Comment: 22 pages, 11 figures. arXiv admin note: substantial text overlap with arXiv:1507.0701

Comparison of effective and stable Langevin dynamics integrators

In silico simulations via Langevin and Brownian stochastic dynamics have a prominent role in computational research. In the literature, there are plenty of modern algorithms providing accurate trajectories each one with its pros and cons, such as different stability regions and levels of accuracy in reproducing statistical results. The practical usability of integrators is an important aspect of each integrator: the ability to choose large time steps while ensuring numerical instability, the usage of dimensionless models, and securing numerical efficiency are at the core of stochastic integrators. In this work, several important use cases and practical features are selected in order to perform a cumulative benchmark. The most effective integrators are identified and their results are compared to previous studies.Comment: 29 pages, 11 figure

Eco-efficient process based on conventional machining as an alternative technology to chemical milling of aeronautical metal skin panels

El fresado químico es un proceso diseñado para la reducción de peso de pieles metálicas que, a pesar de los problemas medioambientales asociados, se utiliza en la industria aeronáutica desde los años 50. Entre sus ventajas figuran el cumplimiento de las estrictas tolerancias de diseño de piezas aeroespaciales y que pese a ser un proceso de mecanizado, no induce tensiones residuales. Sin embargo, el fresado químico es una tecnología contaminante y costosa que tiende a ser sustituida. Gracias a los avances realizados en el mecanizado, la tecnología de fresado convencional permite alcanzar las tolerancias requeridas siempre y cuando se consigan evitar las vibraciones y la flexión de la pieza, ambas relacionadas con los parámetros del proceso y con los sistemas de utillaje empleados. Esta tesis analiza las causas de la inestabilidad del corte y la deformación de las piezas a través de una revisión bibliográfica que cubre los modelos analíticos, las técnicas computacionales y las soluciones industriales en estudio actualmente. En ella, se aprecia cómo los modelos analíticos y las soluciones computacionales y de simulación se centran principalmente en la predicción off-line de vibraciones y de posibles flexiones de la pieza. Sin embargo, un enfoque más industrial ha llevado al diseño de sistemas de fijación, utillajes, amortiguadores basados en actuadores, sistemas de rigidez y controles adaptativos apoyados en simulaciones o en la selección estadística de parámetros. Además se han desarrollado distintas soluciones CAM basadas en la aplicación de gemelos virtuales. En la revisión bibliográfica se han encontrado pocos documentos relativos a pieles y suelos delgados por lo que se ha estudiado experimentalmente el efecto de los parámetros de corte en su mecanizado. Este conjunto de experimentos ha demostrado que, pese a usar un sistema que aseguraba la rigidez de la pieza, las pieles se comportaban de forma diferente a un sólido rígido en términos de fuerzas de mecanizado cuando se utilizaban velocidades de corte cercanas a la alta velocidad. También se ha verificado que todas las muestras mecanizadas entraban dentro de tolerancia en cuanto a la rugosidad de la pieza. Paralelamente, se ha comprobado que la correcta selección de parámetros de mecanizado puede reducir las fuerzas de corte y las tolerancias del proceso hasta un 20% y un 40%, respectivamente. Estos datos pueden tener aplicación industrial en la simplificación de los sistemas de amarre o en el incremento de la eficiencia del proceso. Este proceso también puede mejorarse incrementando la vida de la herramienta al utilizar fluidos de corte. Una correcta lubricación puede reducir la temperatura del proceso y las tensiones residuales inducidas a la pieza. Con este objetivo, se han desarrollado diferentes lubricantes, basados en el uso de líquidos iónicos (IL) y se han comparado con el comportamiento tribológico del par de contacto en seco y con una taladrina comercial. Los resultados obtenidos utilizando 1 wt% de los líquidos iónicos en un tribómetro tipo pin-on-disk demuestran que el IL no halogenado reduce significativamente el desgaste y la fricción entre el aluminio, material a mecanizar, y el carburo de tungsteno, material de la herramienta, eliminando casi toda la adhesión del aluminio sobre el pin, lo que puede incrementar considerablemente la vida de la herramienta.Chemical milling is a process designed to reduce the weight of metals skin panels. This process has been used since 1950s in the aerospace industry despite its environmental concern. Among its advantages, chemical milling does not induce residual stress and parts meet the required tolerances. However, this process is a pollutant and costly technology. Thanks to the last advances in conventional milling, machining processes can achieve similar quality results meanwhile vibration and part deflection are avoided. Both problems are usually related to the cutting parameters and the workholding. This thesis analyses the causes of the cutting instability and part deformation through a literature review that covers analytical models, computational techniques and industrial solutions. Analytics and computational solutions are mainly focused on chatter and deflection prediction and industrial approaches are focused on the design of workholdings, fixtures, damping actuators, stiffening devices, adaptive control systems based on simulations and the statistical parameters selection, and CAM solutions combined with the use of virtual twins applications. In this literature review, few research works about thin-plates and thin-floors is found so the effect of the cutting parameters is also studied experimentally. These experiments confirm that even using rigid workholdings, the behavior of the part is different to a rigid body at high speed machining. On the one hand, roughness values meet the required tolerances under every set of the tested parameters. On the other hand, a proper parameter selection reduces the cutting forces and process tolerances by up to 20% and 40%, respectively. This fact can be industrially used to simplify workholding and increase the machine efficiency. Another way to improve the process efficiency is to increase tool life by using cutting fluids. Their use can also decrease the temperature of the process and the induced stresses. For this purpose, different water-based lubricants containing three types of Ionic Liquids (IL) are compared to dry and commercial cutting fluid conditions by studying their tribological behavior. Pin on disk tests prove that just 1wt% of one of the halogen-free ILs significantly reduces wear and friction between both materials, aluminum and tungsten carbide. In fact, no wear scar is noticed on the ball when one of the ILs is used, which, therefore, could considerably increase tool life

Wavelet-based density estimation for noise reduction in plasma simulations using particles

For given computational resources, the accuracy of plasma simulations using particles is mainly held back by the noise due to limited statistical sampling in the reconstruction of the particle distribution function. A method based on wavelet analysis is proposed and tested to reduce this noise. The method, known as wavelet based density estimation (WBDE), was previously introduced in the statistical literature to estimate probability densities given a finite number of independent measurements. Its novel application to plasma simulations can be viewed as a natural extension of the finite size particles (FSP) approach, with the advantage of estimating more accurately distribution functions that have localized sharp features. The proposed method preserves the moments of the particle distribution function to a good level of accuracy, has no constraints on the dimensionality of the system, does not require an a priori selection of a global smoothing scale, and its able to adapt locally to the smoothness of the density based on the given discrete particle data. Most importantly, the computational cost of the denoising stage is of the same order as one time step of a FSP simulation. The method is compared with a recently proposed proper orthogonal decomposition based method, and it is tested with three particle data sets that involve different levels of collisionality and interaction with external and self-consistent fields

Elinvar effect in β−\beta-Ti simulated by on-the-fly trained moment tensor potential

A combination of quantum mechanics calculations with machine learning (ML) techniques can lead to a paradigm shift in our ability to predict materials properties from first principles. Here we show that on-the-fly training of an interatomic potential described through moment tensors provides the same accuracy as state-of-the-art {\it ab inito} molecular dynamics in predicting high-temperature elastic properties of materials with two orders of magnitude less computational effort. Using the technique, we investigate high-temperature bcc phase of titanium and predict very weak, Elinvar, temperature dependence of its elastic moduli, similar to the behavior of the so-called GUM Ti-based alloys [T. Sato {\ it et al.}, Science {\bf 300}, 464 (2003)]. Given the fact that GUM alloys have complex chemical compositions and operate at room temperature, Elinvar properties of elemental bcc-Ti observed in the wide temperature interval 1100--1700 K is unique.Comment: 15 pages, 4 figure

Thin-Wall Machining of Light Alloys: A Review of Models and Industrial Approaches

Thin-wall parts are common in the aeronautical sector. However, their machining presents serious challenges such as vibrations and part deflections. To deal with these challenges, di erent approaches have been followed in recent years. This work presents the state of the art of thin-wall light-alloy machining, analyzing the problems related to each type of thin-wall parts, exposing the causes of both instability and deformation through analytical models, summarizing the computational techniques used, and presenting the solutions proposed by di erent authors from an industrial point of view. Finally, some further research lines are proposed