Competing superconducting instabilities in the one-dimensional p-band degenerate cold fermionic system

The zero-temperature phase diagram of $p$-orbital two-component fermionic system loaded into a one-dimensional optical lattice is mapped out by means of analytical and numerical techniques. It is shown that the $p$-band model away from half-filling hosts various competing superconducting phases for attractive and repulsive interactions. At quarter filling, we analyze the possible formation of incompressible Mott phases and in particular for repulsive interactions, we find the occurrence of a Mott transition with the formation of fully gapped bond-ordering waves.Comment: published versio

Model-based observer proposal for surface roughness monitoring

Comunicación presentada a MESIC 2019 8th Manufacturing Engineering Society International Conference (Madrid, 19-21 de Junio de 2019)In the literature, many different machining monitoring systems for surface roughness and tool condition have been proposed and validated experimentally. However, these approaches commonly require costly equipment and experimentation. In this paper, we propose an alternative monitoring system for surface roughness based on a model-based observer considering simple relationships between tool wear, power consumption and surface roughness. The system estimates the surface roughness according to simple models and updates the estimation fusing the information from quality inspection and power consumption. This monitoring strategy is aligned with the industry 4.0 practices and promotes the fusion of data at different shop-floor levels

Variation propagation of bench vises in multi-stage machining processes

Comunicación presentada a MESIC 2019 8th Manufacturing Engineering Society International Conference (Madrid, 19-21 de Junio de 2019)Variation propagation has been successfully modeled by the Stream of Variation (SoV) approach in multistage machining processes. However, the SoV model basically supports 3-2-1 fixtures based on punctual locators and other workholding systems such as conventional vises are not considered yet. In this paper, the SoV model is expanded to include the fixture- and datum-induced variations on workholding devices such as bench vises. The model derivation is validated through assembly and machining simulations on Computer Aided Design software. The case study analyzed shows an average error of part quality prediction between the SoV model and the CAD simulations of 0.26%

First-principles transport calculation method based on real-space finite-difference nonequilibrium Green's function scheme

We demonstrate an efficient nonequilibrium Green's function transport calculation procedure based on the real-space finite-difference method. The direct inversion of matrices for obtaining the self-energy terms of electrodes is computationally demanding in the real-space method because the matrix dimension corresponds to the number of grid points in the unit cell of electrodes, which is much larger than that of sites in the tight-binding approach. The procedure using the ratio matrices of the overbridging boundary-matching technique [Phys. Rev. B {\bf 67}, 195315 (2003)], which is related to the wave functions of a couple of grid planes in the matching regions, greatly reduces the computational effort to calculate self-energy terms without losing mathematical strictness. In addition, the present procedure saves computational time to obtain Green's function of the semi-infinite system required in the Landauer-B\"uttiker formula. Moreover, the compact expression to relate Green's functions and scattering wave functions, which provide a real-space picture of the scattering process, is introduced. An example of the calculated results is given for the transport property of the BN ring connected to (9,0) carbon nanotubes. The wave function matching at the interface reveals that the rotational symmetry of wave functions with respect to the tube axis plays an important role in electron transport. Since the states coming from and going to electrodes show threefold rotational symmetry, the states in the vicinity of the Fermi level, whose wave function exhibits fivefold symmetry, do not contribute to the electron transport through the BN ring.Comment: 34 page

Evaluation of the impact of gamification on students’ performance and engagement in manufacturing engineering courses

In engineering courses with a large number of students, fail and dropout rates are usually high even in courses that can be expected to be interesting to the students. Gamification tools have arisen as an interesting way to motivate the students for a real continuous assessment, increasing the student’s attendance and performance. In this paper, a gamification approach based on a Kahoot tool, Moodle activities, and commemorative badges is proposed within a manufacturing course. The designed activities let the students compete among themselves to get the maximum number of points, which will be converted into extra grades that are added to the final exam grade. The gamification experience has been proven to be highly positive according to students’ and instructors’ perceptions, and the average increase of pass rate and course attendance with respect to previous years have increased from 22% to 34% and from 38% to 66%, respectively

Theoretical Study of the Phosphoryl Transfer Reaction from ATP to Dha Catalyzed by DhaK from Escherichia coli

Protein kinases, representing one of the largest protein families involved in almost all aspects of cell life, have become one of the most important targets for the development of new drugs to be used in, for instance, cancer treatments. In this article an exhaustive theoretical study of the phosphoryl transfer reaction from adenosine triphosphate (ATP) to dihydroxyacetone (Dha) catalyzed by DhaK from Escherichia coli (E. coli) is reported. Two different mechanisms, previously proposed for the phosphoryl transfer from ATP to the hydroxyl side chain of specific serine, threonine, or tyrosine residues, have been explored based on the generation of free energy surfaces (FES) computed with hybrid QM/MM potentials. The results suggest that the substrate-assisted phosphoryl and proton-transfer mechanism is kinetically more favorable than the mechanism where an aspartate would be activating the Dha. Although the details of the mechanisms appear to be dramatically dependent on the level of theory employed in the calculations (PM3/MM, B3LYP:PM3/MM, or B3LYP/MM), the transition states (TSs) for the phosphoryl transfer step appear to be described as a concerted step with different degrees of synchronicity in the breaking and forming bonds process in both explored mechanisms. Residues of the active site belonging to different subunits of the protein, such as Gly78B, Thr79A, Ser80A, Arg178B, and one Mg2+ cation, would be stabilizing the transferred phosphate in the TS. Asp109A would have a structural role by posing the Dha and other residues of the active site in the proper orientation. The information derived from our calculations not only reveals the role of the enzyme and the particular residues of its active site, but it can assist in the rational design of new more specific inhibitors

Magnetization Process of the Classical Heisenberg Model on the Shastry-Sutherland Lattice

We investigate classical Heisenberg spins on the Shastry-Sutherland lattice and under an external magnetic field. A detailed study is carried out both analytically and numerically by means of classical Monte-Carlo simulations. Magnetization pseudo-plateaux are observed around 1/3 of the saturation magnetization for a range of values of the magnetic couplings. We show that the existence of the pseudo-plateau is due to an entropic selection of a particular collinear state. A phase diagram that shows the domains of existence of those pseudo-plateaux in the $(h, T)$ plane is obtained.Comment: 9 pages, 11 figure

Model-based tool condition prognosis using power consumption and scarce surface roughness measurements

In machining processes, underusing and overusing cutting tools directly affect part quality, entailing economic and environmental impacts. In this paper, we propose and compare different strategies for tool replacement before processed parts exceed surface roughness specifications without underusing the tool. The proposed strategies are based on an online part quality monitoring system and apply a model-based algorithm that updates their parameters using adaptive recursive least squares (ARLS) over polynomial models whose generalization capabilities have been validated after generating a dataset using theoretical models from the bibliography. These strategies assume that there is a continuous measurement of power consumption and a periodic measurement of surface roughness from the quality department (scarce measurements). The proposed strategies are compared with other straightforward tool replacement strategies in terms of required previous experimentation, algorithm simplicity and self-adaptability to disturbances (such as changes in machining conditions). Furthermore, the cost of each strategy is analyzed for a given benchmark and with a given batch size in terms of needed tools, consumed energy and parts out of specifications (i.e., rejected). Among the analyzed strategies, the proposed model-based algorithm that detects in real-time the optimal instant for tool change presents the best results.Funding for open access charge: CRUE-Universitat Jaume

Extension of the Stream-of-Variation Model for General-Purpose Workholding Devices: Vices and Three-Jaw Chucks

Nowadays, advanced manufacturing models, such as the stream-of-variation (SoV) model, have been successfully applied to derive the complex relationships between fixturing, manufacturing, and datum errors throughout a multistage machining process. However, the current development of the SoV model is still based on 3-2-1 fixturing schemes, and although some improvements have been done, e.g., N-2-1 fixtures, the effect of general workholding systems, such as bench vices or three-jaw chucks, has not yet been included into the model. This article presents the extension of the SoV model to include fixture and datum errors considering both bench vices and three-jaw chucks as fixturing devices in multistage machining processes. The model includes different workholding configurations, and it is shown how to include the workholding accuracy to estimate part quality. The extended SoV model is validated in a three-stage machining process by both machining experimentation and CAD simulations

A methodology for data-driven adjustment of variation propagation models in multistage manufacturing processes

In the current paradigm of Zero Defect Manufacturing, it is essential to obtain mathematical models that express the propagation of manufacturing deviations along Multistage Manufacturing Processes (MMPs). Linear physical-based models such as the Stream of Variation (SoV) model are commonly used, but its accuracy may be limited when applied to MMPs with a large amount of stages, mainly because of the modeling errors at each stage that are accumulated downstream. In this paper we propose a methodology to calibrate the SoV model using data from the inspection stations and prior engineering-based knowledge. The data used for calibration does not contain information about the sources of variation, and they must be estimated as part of the model adjustment procedure. The proposed methodology consists of a recursive algorithm that minimizes the difference between the sample covariance of the measured Key Product Characteristic (KPC) deviations and its estimation, which is a function of a variation propagation matrix and the covariance of the deviation of the variation sources. To solve the problem with standard convex optimization tools, Schur complements and Taylor series linearizations are applied. The output of the algorithm is an adjusted model, which consists of a variation propagation matrix and an estimation of the aforementioned variation source covariance. In order to validate the performance of the algorithm, a simulated case study is analyzed. The results, based on Monte Carlo simulations, show that the estimation errors of the KPC deviation covariances are proportional to the measurement noise variance and inversely proportional to the number of processed parts that have been used to train the algorithm, similarly to other process estimators in the literature.Funding for open access charge: CRUE-Universitat Jaume