arXiv subjects

Manish Kumar

Publications and source records attributed to Manish Kumar.

At least 145 records · Page 8Linked to original sources

arXiv2021

Sublattice mixing in Cs$_2$AgInCl$_6$ for enhanced optical properties from first-principles

Lead-free double perovskite materials (viz. Cs$_2$AgInCl$_6$) are being explored as stable and non-toxic alternatives of lead halide perovskites. In order to expand the optical response of Cs$_2$AgInCl$_6$ in visible region, we report here the stability, electronic structure and optical properties of Cs$_2$AgInCl$_6$ by sublattice mixing of various elements. Here, we have employed %high-throughput screening using a hierarchical first-principles based approach starting from density functional theory (DFT) with appropriate exchange-correlation functionals to beyond DFT methods under the framework of many body perturbation theory (viz. G$_0$W$_0$@HSE06). We have started with 32 primary set of combinations of metals M(I), M(II), M(III) and halogen X at Ag/In and Cl site, respectively, where concentration of each set is varied to build a database of nearly 140 combinations. The most suitable mixed sublattices are identified to engineer the band gap of Cs$_2$AgInCl$_6$ to have its application in optoelectronic devices under visible light.

cond-mat.mtrl-sci↗

arXiv2020

Synthesis and characterization of vertically aligned La0.7Sr0.3MnO3:NiO nanocomposite thin films for spintronic applications

The microstructures and interfaces of two-phase vertically aligned nanocomposite (VAN) thin films play a key role in the design of spintronic device architectures and their multifunctional properties. Here, we show how the microstructures in self-assembled VAN thin films of La0.7Sr0.3MnO3:NiO (LSMO:NiO) can be effectively tuned from nano-granular to nano-columnar, and to nano-maze by controlling the number of laser shots from the two constituent phase targets in the pulsed laser deposition (PLD) film growth. The observed microstructural induced strain is found to significantly enhance the magnetoresistance in a very broad temperature range between 10-240 K and to modulate the in-plane exchange bias (EB), with the largest EB value observed in the maximally strained heterostructures. Most interestingly, a unique perpendicular exchange bias (PEB) effect is also observed for these heterostructures with an enhanced PEB field of up to 230 Oe. X-ray magnetic circular dichroism and training effect measurements demonstrate that the observed EB is disorder-induced and arises due to the pinning of NiO uncompensated moments at the disordered interface which is ferromagnetically coupled with LSMO. Furthermore, systematic changes in the electronic structure across the vertical interface related to a variation of the Mn3+/Mn4+ content arise as a consequence of out-of-plane tensile strain.

cond-mat.str-el↗

arXiv2020

Local Deal-Agreement Based Monotonic Distributed Algorithms for Load Balancing in General Graphs

In computer networks, participants may cooperate in processing tasks, so that loads are balanced among them. We present local distributed algorithms that (repeatedly) use local imbalance criteria to transfer loads concurrently across the participants of the system, iterating until all loads are balanced. Our algorithms are based on a short local deal-agreement communication of proposal/deal, based on the neighborhood loads. They converge monotonically, always providing a better state as the execution progresses. Besides, our algorithms avoid making loads temporarily negative. Thus, they may be considered anytime ones, in the sense that they can be stopped at any time during the execution. We show that our synchronous load balancing algorithms achieve $ε$-Balanced state for the continuous setting and 1-Balanced state for the discrete setting in all graphs, within $O(n D \log(n K/ε))$ and $O(n D \log(n K/D) + n D^2)$ time, respectively, where $n$ is the number of nodes, $K$ is the initial discrepancy, $D$ is the graph diameter, and $ε$ is the final discrepancy. Our other monotonic synchronous and asynchronous algorithms for the discrete setting are generalizations of the first presented algorithms, where load balancing is performed concurrently with more than one neighbor. These algorithms arrive at a 1-Balanced state in time $O(n K^2)$ in general graphs, but have a potential to be faster as the loads are balanced among all neighbors, rather than with only one; we describe a scenario that demonstrates the potential for a fast ($O(1)$) convergence. Our asynchronous algorithm avoids the need to wait for the slowest participants' activity prior to making the next load balancing steps as synchronous settings restrict. We also introduce a self-stabilizing version of our asynchronous algorithm.

cs.DC↗

arXiv2020

A finite-element model for computing fluid flow inside a sessile evaporating droplet on a solid surface

A finite element model was developed to compute the fluid flow inside a sessile evaporating droplet on hydrophilic substrate in ambient conditions. The evaporation is assumed as quasi-steady and the flow is considered as axisymmetric with a pinned contact line. The Navier-Stokes equations in cylindrical coordinates were solved inside the droplet. Galerkin weight residual approach and velocity pressure formulation was used to discretise the governing equations. Six node triangular mesh and quadratic shape functions were used to obtain higher accuracy solutions. Radial velocity profiles in axial directions calculated by the FEM solver were compared with a existing analytical model and were found in excellent agreement. The contours of velocity magnitude and streamlines show the characteristic flow i.e. radially outward inside the evaporating droplet.

physics.flu-dyn↗

arXiv2020

Developmental Reinforcement Learning of Control Policy of a Quadcopter UAV with Thrust Vectoring Rotors

In this paper, we present a novel developmental reinforcement learning-based controller for a quadcopter with thrust vectoring capabilities. This multirotor UAV design has tilt-enabled rotors. It utilizes the rotor force magnitude and direction to achieve the desired state during flight. The control policy of this robot is learned using the policy transfer from the learned controller of the quadcopter (comparatively simple UAV design without thrust vectoring). This approach allows learning a control policy for systems with multiple inputs and multiple outputs. The performance of the learned policy is evaluated by physics-based simulations for the tasks of hovering and way-point navigation. The flight simulations utilize a flight controller based on reinforcement learning without any additional PID components. The results show faster learning with the presented approach as opposed to learning the control policy from scratch for this new UAV design created by modifications in a conventional quadcopter, i.e., the addition of more degrees of freedom (4-actuators in conventional quadcopter to 8-actuators in tilt-rotor quadcopter). We demonstrate the robustness of our learned policy by showing the recovery of the tilt-rotor platform in the simulation from various non-static initial conditions in order to reach a desired state. The developmental policy for the tilt-rotor UAV also showed superior fault tolerance when compared with the policy learned from the scratch. The results show the ability of the presented approach to bootstrap the learned behavior from a simpler system (lower-dimensional action-space) to a more complex robot (comparatively higher-dimensional action-space) and reach better performance faster.

cs.RO↗

arXiv2020

Evaporation of initially heated sessile droplets and the resultant dried colloidal deposits on substrates held at ambient temperature

The present study experimentally and numerically investigates the evaporation and resultant patterns of dried deposits of aqueous colloidal sessile droplets, when the droplets are initially elevated to a high temperature before being placed on a substrate held at ambient temperature. The system is then released for natural evaporation without applying any external perturbation. Infrared thermography and optical profilometry were used as essential tools for interfacial temperature measurements and quantification of the coffee-ring dimensions, respectively. Initially, a significant temperature gradient exists along the liquid-gas interface as soon as the droplet is deposited on the substrate which triggers a Marangoni stress-induced recirculation flow directed from the top of the droplet towards the contact line along the liquid-gas interface. Thus, the flow is in the reverse direction to that seen in the conventional substrate heating case. Interestingly, this temperature gradient decays rapidly -- within the first 10% of the total evaporation time and the droplet-substrate system reaches thermal equilibrium with ambient thereafter. Despite fast decay of the temperature gradient, the coffee-ring dimensions significantly diminish, leading to an inner deposit. This suppression of the coffee-ring effect is attributed to the fact that the initial Marangoni stress-induced recirculation flow continues until the last stage of the evaporation, even after the interfacial temperature gradient vanishes. This is essentially a consequence of liquid inertia. Overall, together with a new experimental condition, the present investigation discloses a distinct nature of Marangoni stress-induced flow in the drying droplet and its role in influencing the associated colloidal deposits, which was not explored previously.

physics.flu-dyn↗

arXiv2020

Quaternion Feedback Based Autonomous Control of a Quadcopter UAV with Thrust Vectoring Rotors

In this paper, we present an autonomous flight controller for a quadcopter with thrust vectoring capabilities. This UAV falls in the category of multirotors with tilt-motion enabled rotors. Since the vehicle considered is over-actuated in nature, the dynamics and control allocation have to be analysed carefully. Moreover, the possibility of hovering at large attitude maneuvers of this novel vehicle requires singularity-free attitude control. Hence, quaternion state feedback is utilized to compute the control commands for the UAV motors while avoiding the gimbal lock condition experienced by Euler angle based controllers. The quaternion implementation also reduces the overall complexity of state estimation due to absence of trigonometric parameters. The quadcopter dynamic model and state space is utilized to design the attitude controller and control allocation for the UAV. The control allocation, in particular, is derived by linearizing the system about hover condition. This mathematical method renders the control allocation more accurate than existing approaches. Lyapunov stability analysis of the attitude controller is shown to prove global stability. The quaternion feedback attitude controller is commanded by an outer position controller loop which generates rotor-tilt and desired quaternions commands for the system. The performance of the UAV is evaluated by numerical simulations for tracking attitude step commands and for following a way-point navigation mission.

cs.RO↗

arXiv2020

Fatou and Julia like sets II

This paper is a continuation of authors work: Fatou and Julia like sets,Ukranian J. Math., to appear/arXiv:2006.08308[math.CV](see [4]). Here, we introduce escaping like set and generalized escaping like set for a family of holomorphic functions on an arbitrary domain, and establish some distinctive properties of these sets. The connectedness of the Julia like set is also proved.

math.CV↗

arXiv2020

Fatou and Julia like sets

For a family of holomorphic functions on an arbitrary domain, we introduce Fatou and Julia like sets, and establish some of their interesting properties.

math.CV↗

arXiv2020

Metastability Triggered Reactivity in Clusters at Realistic Conditions: A Case Study of N-doped (TiO$_2$)$_n$ for Photocatalysis

Here we report a strategy, by taking a prototypical model system for photocatalysis (viz. N-doped (TiO$_2$)$_n$ clusters), to accurately determine low energy metastable structures that can play a major role with enhanced catalytic reactivity. Computational design of specific metastable photocatalyst with enhanced activity is never been easy due to plenty of isomers on potential energy surface. This requires fixing various parameters viz. (i) favorable formation energy, (ii) low fundamental gap, (iii) low excitation energy and (iv) high vertical electron affinity (VEA) and low vertical ionization potential (VIP). We validate here by integrating several first principles based methodologies that consideration of the global minimum structure alone can severely underestimate the activity. As a first step, we have used a suite of genetic algorithms [viz. searching clusters with conventional minimum total energy ((GA)$_\textrm{E}$); searching clusters with specific property i.e. high VEA ((GA)$_\textrm{P}^{\textrm{EA}}$), and low VIP ((GA)$_\textrm{P}^{\textrm{IP}}$)] to model the N-doped (TiO$_2$)$_n$ clusters. Following this, we have identified its free energy using ab initio thermodynamics to confirm that the metastable structures are not too far from the global minima. By analyzing a large dataset, we find that N-substitution ((N)$_\textrm{O}$) prefers to reside at highly coordinated oxygen site to maximize its coordination, whereas N-interstitial ((NO)$_\textrm{O}$) and split-interstitial ((N$_2)_\textrm{O}$) favor the dangling oxygen site. Interestingly, we notice that each types of defect (viz. substitution, interstitials) reduce the fundamental gap and excitation energy substantially. However, (NO)$_\textrm{O}$ and (N$_2)_\textrm{O}$ doped clusters are the potential candidates for overall water splitting, whereas N$_\textrm{O}$ is congenial only for oxygen evolution reaction.

cond-mat.mtrl-sci↗

arXiv2020

High-Throughput Screening for Band gap Engineering by Sublattice Mixing of Cs$_2$AgBiCl$_6$ from First-Principles

The lead-free double perovskite material (viz. Cs$_2$AgBiCl$_6$) has emerged as an efficient and environmentally friendly alternative to lead halide perovskites. To make Cs$_2$AgBiCl$_6$ optically active in the visible region of solar spectrum, band gap engineering approach has been undertaken. Using Cs$_2$AgBiCl$_6$ as a host, band gap and optical properties of Cs$_2$AgBiCl$_6$ have been modulated by alloying with M(I), M(II), and M(III) cations at Ag-/Bi-sites. Here, we have employed density functional theory (DFT) with suitable exchange-correlation functionals in light of spin-orbit coupling (SOC) to determine the stability, band gap and optical properties of different compositions, that are obtained on Ag-Cl and Bi-Cl sublattices mixing. On analyzing the 64 combinations within Cs$_2$AgBiCl$_6$, we have identified 19 promising configurations having band gap sensitive to solar cell applications. The most suitable configurations with Ge(II) and Sn(II) substitutions have spectroscopic limited maximum efficiency (SLME) of 32.08% and 30.91%, respectively, which are apt for solar cell absorber.

cond-mat.mtrl-sci↗

arXiv2020

Computer Vision Toolkit for Non-invasive Monitoring of Factory Floor Artifacts

Digitization has led to smart, connected technologies be an integral part of businesses, governments and communities. For manufacturing digitization, there has been active research and development with a focus on Cloud Manufacturing (CM) and the Industrial Internet of Things (IIoT). This work presents a computer vision toolkit (CV Toolkit) for non-invasive digitization of the factory floor in line with Industry 4.0 requirements for factory data collection. Currently, technical challenges persist towards digitization of legacy systems due to the limitation for changes in their design and sensors. This novel toolkit is developed to facilitate easy integration of legacy production machinery and factory floor artifacts with the digital and smart manufacturing environment with no requirement of any physical changes in the machines. The system developed is modular, and allows real-time monitoring of production machinery. Modularity aspect allows the incorporation of new software applications in the current framework of CV Toolkit. To allow connectivity of this toolkit with manufacturing floors in a simple, deployable and cost-effective manner, the toolkit is integrated with a known manufacturing data standard, MTConnect, to "translate" the digital inputs into data streams that can be read by commercial status tracking and reporting software solutions. The proposed toolkit is demonstrated using a mock-panel environment developed in house at the University of Cincinnati to highlight its usability.

cs.CV↗

arXiv2020

One-Shot Recognition of Manufacturing Defects in Steel Surfaces

Quality control is an essential process in manufacturing to make the product defect-free as well as to meet customer needs. The automation of this process is important to maintain high quality along with the high manufacturing throughput. With recent developments in deep learning and computer vision technologies, it has become possible to detect various features from the images with near-human accuracy. However, many of these approaches are data intensive. Training and deployment of such a system on manufacturing floors may become expensive and time-consuming. The need for large amounts of training data is one of the limitations of the applicability of these approaches in real-world manufacturing systems. In this work, we propose the application of a Siamese convolutional neural network to do one-shot recognition for such a task. Our results demonstrate how one-shot learning can be used in quality control of steel by identification of defects on the steel surface. This method can significantly reduce the requirements of training data and can also be run in real-time.

cs.CV↗

arXiv2020

Flight Control of Sliding Arm Quadcopter with Dynamic Structural Parameters

The conceptual design and flight controller of a novel kind of quadcopter are presented. This design is capable of morphing the shape of the UAV during flight to achieve position and attitude control. We consider a dynamic center of gravity (CoG) which causes continuous variation in a moment of inertia (MoI) parameters of the UAV in this design. These dynamic structural parameters play a vital role in the stability and control of the system. The length of quadcopter arms is a variable parameter, and it is actuated using attitude feedback-based control law. The MoI parameters are computed in real-time and incorporated in the equations of motion of the system. The UAV utilizes the angular motion of propellers and variable quadcopter arm lengths for position and navigation control. The movement space of the CoG is a design parameter and it is bounded by actuator limitations and stability requirements of the system. A detailed information on equations of motion, flight controller design and possible applications of this system are provided. Further, the proposed shape-changing UAV system is evaluated by comparative numerical simulations for way point navigation mission and complex trajectory tracking.

cs.RO↗

arXiv2020

Theoretical insights of codoping to modulate electronic structure of TiO$_2$ and SrTiO$_3$ for enhanced photocatalytic efficiency

TiO$_2$ and SrTiO$_3$ are well known materials in the field of photocatalysis due to their exceptional electronic structure, high chemical stability, non-toxicity and low cost. However, owing to the wide band gap, these can be utilized only in the UV region. Thus, it's necessary to expand their optical response in visible region by reducing their band gap through doping with metals, nonmetals or the combination of different elements, while retaining intact the photocatalytic efficiency. We report here, the codoping of a metal and a nonmetal in anatase TiO$_2$ and SrTiO$_3$ for efficient photocatalytic water splitting using hybrid density functional theory and \textit{ab initio} atomistic thermodynamics. The latter ensures to capture the environmental effect to understand thermodynamic stability of the charged defects at a realistic condition. We have observed that the charged defects are stable in addition to neutral defects in anatase TiO$_2$ and the codopants act as donor as well as acceptor depending on the nature of doping (p-type or n-type). However, the most stable codopants in SrTiO$_3$ mostly act as donor. Our results reveal that despite the response in visible light region, the codoping in TiO$_2$ and SrTiO$_3$ cannot always enhance the photocatalytic activity due to either the formation of recombination centers or the large shift in the conduction band minimum or valence band maximum. Amongst various metal-nonmetal combinations, Mn$_\textrm{Ti}$S$_\textrm{O}$ (i.e. Mn is substituted at Ti site and S is substituted at O site), S$_\textrm{O}$ in anatase TiO$_2$ and Mn$_\textrm{Ti}$S$_\textrm{O}$, Mn$_\textrm{Sr}$N$_\textrm{O}$ in SrTiO$_3$ are the most potent candidates to enhance the photocatalytic efficiency of anatase TiO$_2$ and SrTiO$_3$ under visible light irradiation.

cond-mat.mtrl-sci↗

arXiv2020

Theoretical Insights into C$-$H Bond Activation of Methane by Transition Metal Clusters: The Role of Anharmonic Effects

Aiming towards materials design for methane activation, we study temperature ($T$), pressure ($p$) dependence of the composition, structure, and stability of metal oxide clusters in a reactive atmosphere using a prototypical model catalyst having wide applications: free transition metal (Ni) clusters in a combined oxygen and methane atmosphere. A robust methodological approach is employed, to show that the conventional harmonic approximation miserably fails for this class of materials and capturing anharmonic effects to the vibration free energy contribution is indispensable. To incorporate the anharmonicity in the vibrational free energy, we evaluate the excess free energy of the clusters numerically by thermodynamic integration method with hybrid density functional theory and {\em ab initio} molecular dynamics simulation inputs. We find that the anharmonic effect has a significant impact in detecting the activation of C$-$H bond, whereas the harmonic infrared spectrum completely fails due to the wrong prediction of the vibrational modes.

cond-mat.mtrl-sci↗

arXiv2020

Role of Defects in Photocatalytic Water Splitting: Monodoped vs Codoped SrTiO$_3$

Using the hybrid density functional theory and \textit{ab initio} atomistic thermodynamics, we report monodoping of non-metal (N) or metal (Mn) in SrTiO$_3$ can induce visible light absorption, but none of them are suitable to ameliorate the photocatalytic activity. Therefore, in order to achieve enhanced photocatalytic activity of SrTiO$_3$, we have employed codoped Mn and N simultaneously in SrTiO$_3$ to modulate its electronic properties effectively. In the codoped SrTiO$_3$, the recombination of photogenerated charge carriers is suppressed, and the diffusion and mobility are increased owing to the passivation of discrete localized states. Our results reveal that Mn$_{\textrm{Sr}}\textrm{N}_\textrm{O}$ (codoping of Mn at Sr site and N at O site) is the most promising candidate for enhancing the photocatalytic activity of SrTiO$_3$ under visible light.

cond-mat.mtrl-sci↗

arXiv2020

Geometry of tilt (in)variance in scanned oblique plane microscopy

Oblique plane microscopy (OPM) is a single objective light-sheet microscopy which performs three dimensional (3D) imaging by axial scan of the generated light-sheet. Recently, multiple techniques for lateral scan of the generated light-sheet in OPM have emerged. However, their suitability for geometrically distortion free 3D imaging, which essentially requires a constant tilt light-sheet scan, has not been evaluated. In this work, we use a geometrical optics approach and derive analytical relationship for the amount of tilt variance in planar mirror based scanned oblique plane illumination (SOPi) arrangement. We experimentally validate the derived relationship and use it to arrive at an optimized scanner geometry and to understand its associated limitations. We also discuss the effects of scanning on optical aberrations and 3D field of view in optimized, tilt invariant, lateral scanning OPM systems.

physics.optics↗