skip to main content

Title: A Computational Fluid Dynamics Investigation of Pneumatic Atomization, Aerosol Transport, and Deposition in Aerosol Jet Printing Process
Abstract Aerosol jet printing (AJP) is a direct-write additive manufacturing technique, which has emerged as a high-resolution method for the fabrication of a broad spectrum of electronic devices. Despite the advantages and critical applications of AJP in the printed-electronics industry, AJP process is intrinsically unstable, complex, and prone to unexpected gradual drifts, which adversely affect the morphology and consequently the functional performance of a printed electronic device. Therefore, in situ process monitoring and control in AJP is an inevitable need. In this respect, in addition to experimental characterization of the AJP process, physical models would be required to explain the underlying aerodynamic phenomena in AJP. The goal of this research work is to establish a physics-based computational platform for prediction of aerosol flow regimes and ultimately, physics-driven control of the AJP process. In pursuit of this goal, the objective is to forward a three-dimensional (3D) compressible, turbulent, multiphase computational fluid dynamics (CFD) model to investigate the aerodynamics behind: (i) aerosol generation, (ii) aerosol transport, and (iii) aerosol deposition on a moving free surface in the AJP process. The complex geometries of the deposition head as well as the pneumatic atomizer were modeled in the ansys-fluent environment, based on patented designs more » in addition to accurate measurements, obtained from 3D X-ray micro-computed tomography (μ-CT) imaging. The entire volume of the constructed geometries was subsequently meshed using a mixture of smooth and soft quadrilateral elements, with consideration of layers of inflation to obtain an accurate solution near the walls. A combined approach, based on the density-based and pressure-based Navier–Stokes formation, was adopted to obtain steady-state solutions and to bring the conservation imbalances below a specified linearization tolerance (i.e., 10−6). Turbulence was modeled using the realizable k-ε viscous model with scalable wall functions. A coupled two-phase flow model was, in addition, set up to track a large number of injected particles. The boundary conditions of the CFD model were defined based on experimental sensor data, recorded from the AJP control system. The accuracy of the model was validated using a factorial experiment, composed of AJ-deposition of a silver nanoparticle ink on a polyimide substrate. The outcomes of this study pave the way for the implementation of physics-driven in situ monitoring and control of AJP. « less
Authors:
 ; ; ; ;
Award ID(s):
1752069
Publication Date:
NSF-PAR ID:
10219737
Journal Name:
Journal of Micro and Nano-Manufacturing
Volume:
9
Issue:
1
ISSN:
2166-0468
Sponsoring Org:
National Science Foundation
More Like this
  1. Abstract Aerosol jet printing (AJP) is a direct-write additive manufacturing (AM) method, emerging as the process of choice for the fabrication of a broad spectrum of electronics, such as sensors, transistors, and optoelectronic devices. However, AJP is a highly complex process, prone to intrinsic gradual drifts. Consequently, real-time process monitoring and control in AJP is a bourgeoning need. The goal of this work is to establish an integrated, smart platform for in situ and real-time monitoring of the functional properties of AJ-printed electronics. In pursuit of this goal, the objective is to forward a multiple-input, single-output (MISO) intelligent learning model—based on sparse representation classification (SRC)—to estimate the functional properties (e.g., resistance) in situ as well as in real-time. The aim is to classify the resistance of printed electronic traces (lines) as a function of AJP process parameters and the trace morphology characteristics (e.g., line width, thickness, and cross-sectional area (CSA)). To realize this objective, line morphology is captured using a series of images, acquired: (i) in situ via an integrated high-resolution imaging system and (ii) in real-time via the AJP standard process monitor camera. Utilizing image processing algorithms developed in-house, a wide range of 2D and 3D morphology features aremore »extracted, constituting the primary source of data for the training, validation, and testing of the SRC model. The four-point probe method (also known as Kelvin sensing) is used to measure the resistance of the deposited traces and as a result, to define a priori class labels. The results of this study exhibited that using the presented approach, the resistance (and potentially, other functional properties) of printed electronics can be estimated both in situ and in real-time with an accuracy of ≥ 90%.« less
  2. Abstract. Oxidation flow reactors (OFRs) have been developed to achieve high degrees of oxidant exposures over relatively short space times (defined as the ratio of reactor volume to the volumetric flow rate). While, due to their increased use, attention has been paid to their ability to replicate realistic tropospheric reactions by modeling the chemistry inside the reactor, there is a desire to customize flow patterns. This work demonstrates the importance of decoupling tracer signal of the reactor from that of the tubing when experimentally obtaining these flow patterns. We modeled the residence time distributions (RTDs) inside the Washington University Potential Aerosol Mass (WU-PAM) reactor, an OFR, for a simple set of configurations by applying the tank-in-series (TIS) model, a one-parameter model, to a deconvolution algorithm. The value of the parameter, N, is close to unity for every case except one having the highest space time. Combined, the results suggest that volumetric flow rate affects mixing patterns more than use of our internals. We selected results from the simplest case, at 78 s space time with one inlet and one outlet, absent of baffles and spargers, and compared the experimental F curve to that of a computational fluid dynamics (CFD) simulation. Themore »F curves, which represent the cumulative time spent in the reactor by flowing material, match reasonably well. We value that the use of a small aspect ratio reactor such as the WU-PAM reduces wall interactions; however sudden apertures introduce disturbances in the flow, and suggest applying the methodology of tracer testing described in this work to investigate RTDs in OFRs to observe the effect of modified inlets, outlets and use of internals prior to application (e.g., field deployment vs. laboratory study).« less
  3. Conventional lithium-ion batteries are unable to meet the increasing demands for high-energy storage systems, because of their limited theoretical capacity. 1 In recent years, intensive attention has been paid to enhancing battery energy storage capability to satisfy the increasing energy demand in modern society and reduce the average energy capacity cost. Among the candidates for next generation high energy storage systems, the lithium sulfur battery is especially attractive because of its high theoretical specific energy (around 2600 W h kg-1) and potential cost reduction. In addition, sulfur is a cost effective and environmentally friendly material due to its abundance and low-toxicity. 2 Despite all of these advantages, the practical application of lithium sulfur batteries to date has been hindered by a series of obstacles, including low active material loading, poor cycle life, and sluggish sulfur conversion kinetics. 3 Achieving high mass loading cathode in the traditional 2D planar thick electrode has been challenged. The high distorsion of the traditional planar thick electrodes for ion/electron transfer leads to the limited utilization of active materials and high resistance, which eventually results in restricted energy density and accelerated electrode failure. 4 Furthermore, of the electrolyte to pores in the cathode and utilization ratiomore »of active materials. Catalysts such as MnO 2 and Co dopants were employed to accelerate the sulfur conversion reaction during the charge and discharge process. 5 However, catalysts based on transition metals suffer from poor electronic conductivity. Other catalysts such as transition metal dopants are also limited due to the increased process complexities. . In addition, the severe shuttle effects in Li-S batteries may lead to fast failures of the battery. Constructing a protection layer on the separator for limiting the transmission of soluble polysulfides is considered an effective way to eliminate the shuttle phenomenon. However, the soluble sulfides still can largely dissolve around the cathode side causing the sluggish reaction condition for sulfur conversion. 5 To mitigate the issues above, herein we demonstrate a novel sulfur electrode design strategy enabled by additive manufacturing and oxidative vapor deposition (oCVD). Specifically, the electrode is strategically designed into a hierarchal hollow structure via stereolithography technique to increase sulfur usage. The active material concentration loaded to the battery cathode is controlled precisely during 3D printing by adjusting the number of printed layers. Owing to its freedom in geometry and structure, the suggested design is expected to improve the Li ions and electron transport rate considerably, and hence, the battery power density. The printed cathode is sintered at 700 °C at N 2 atmosphere to achieve carbonization of the cathode during which intrinsic carbon defects (e.g., pentagon carbon) as catalytic defect sites are in-situ generated on the cathode. The intrinsic carbon defects equipped with adequate electronic conductivity. The sintered 3D cathode is then transferred to the oCVD chamber for depositing a thin PEDOT layer as a protection layer to restrict dissolutions of sulfur compounds in the cathode. Density functional theory calculation reveals the electronic state variance between the structures with and without defects, the structure with defects demonstrates the higher kinetic condition for sulfur conversion. To further identify the favorable reaction dynamic process, the in-situ XRD is used to characterize the transformation between soluble and insoluble polysulfides, which is the main barrier in the charge and discharge process of Li-S batteries. The results show the oCVD coated 3D printed sulfur cathode exhibits a much higher kinetic process for sulfur conversion, which benefits from the highly tailored hierarchal hollow structure and the defects engineering on the cathode. Further, the oCVD coated 3D printed sulfur cathode also demonstrates higher stability during long cycling enabled by the oCVD PEDOT protection layer, which is verified by an absorption energy calculation of polysulfides at PEDOT. Such modeling and analysis help to elucidate the fundamental mechanisms that govern cathode performance and degradation in Li-S batteries. The current study also provides design strategies for the sulfur cathode as well as selection approaches to novel battery systems. References: Bhargav, A., (2020). Lithium-Sulfur Batteries: Attaining the Critical Metrics. Joule 4 , 285-291. Chung, S.-H., (2018). Progress on the Critical Parameters for Lithium–Sulfur Batteries to be Practically Viable. Advanced Functional Materials 28 , 1801188. Peng, H.-J.,(2017). Review on High-Loading and High-Energy Lithium–Sulfur Batteries. Advanced Energy Materials 7 , 1700260. Chu, T., (2021). 3D printing‐enabled advanced electrode architecture design. Carbon Energy 3 , 424-439. Shi, Z., (2021). Defect Engineering for Expediting Li–S Chemistry: Strategies, Mechanisms, and Perspectives. Advanced Energy Materials 11 . Figure 1« less
  4. The most common approach to air cooling of data centers involves the pressurization of the plenum beneath the raised floor and delivery of air flow to racks via perforated floor tiles. This cooling approach is thermodynamically inefficient due in large part to the pressure losses through the tiles. Furthermore, it is difficult to control flow at the aisle and rack level since the flow source is centralized rather than distributed. Distributed cooling systems are more closely coupled to the heat generating racks. In overhead cooling systems, one can distribute flow to distinct aisles by placing the air mover and water cooled heat exchanger directly above an aisle. Two arrangements are possible: (i.) placing the air mover and heat exchanger above the cold aisle and forcing downward flow of cooled air into the cold aisle (Overhead Downward Flow (ODF)), or (ii.) placing the air mover and heat exchanger above the hot aisle and forcing heated air upwards from the hot aisle through the water cooled heat exchanger (Overhead Upward Flow (OUF)). This study focuses on the steady and transient behavior of overhead cooling systems in both ODF and OUF configurations and compares their cooling effectiveness and energy efficiency. The flow andmore »heat transfer inside the servers and heat exchangers are modeled using physics based approaches that result in differential equation based mathematical descriptions. These models are programmed in the MATLAB™ language and embedded within a CFD computational environment (using the commercial code FLUENT™) that computes the steady or instantaneous airflow distribution. The complete computational model is able to simulate the complete flow and thermal field in the airside, the instantaneous temperatures within and pressure drops through the servers, and the instantaneous temperatures within and pressure drops through the overhead cooling system. Instantaneous overall energy consumption (1st Law) and exergy destruction (2nd Law) were used to quantify overall energy efficiency and to identify inefficiencies within the two systems. The server cooling effectiveness, based on an effectiveness-NTU model for the servers, was used to assess the cooling effectiveness of the two overhead cooling approaches« less
  5. Abstract

    Reproducible wafer-scale growth of two-dimensional (2D) materials using the Chemical Vapor Deposition (CVD) process with precise control over their properties is challenging due to a lack of understanding of the growth mechanisms spanning over several length scales and sensitivity of the synthesis to subtle changes in growth conditions. A multiscale computational framework coupling Computational Fluid Dynamics (CFD), Phase-Field (PF), and reactive Molecular Dynamics (MD) was developed – called the CPM model – and experimentally verified. Correlation between theoretical predictions and thorough experimental measurements for a Metal-Organic CVD (MOCVD)-grown WSe2model material revealed the full power of this computational approach. Large-area uniform 2D materials are synthesized via MOCVD, guided by computational analyses. The developed computational framework provides the foundation for guiding the synthesis of wafer-scale 2D materials with precise control over the coverage, morphology, and properties, a critical capability for fabricating electronic, optoelectronic, and quantum computing devices.