A moving porous media model for continuous spatial particle ALD
A moving porous media model for continuous spatial particle ALD
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DOI：
10.1016/j.powtec.2023.118448
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发表时间：
2023-03
影响因子：
5.2
通讯作者：
J. Hartig;Vidumin Dahanayake;Julie Nguyen;Carter A. Wilson;Austin M. Barnes;A. Weimer
中科院分区：
文献类型：
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作者：
J. Hartig;Vidumin Dahanayake;Julie Nguyen;Carter A. Wilson;Austin M. Barnes;A. Weimer
发展了一种用于反应器尺度连续空间粒子原子层沉积（ALD）计算流体力学（CFD）模拟的移动多孔介质（MPM）建模方法。将连续振动反应器中的粉末床视为多孔介质，在振动反应器区域内以滑动分层的动态网格区进行输送，建立了颗粒原子层沉积（CVR-ALD）过程的数学模型。候选人的多孔反应器基板进行了实验表征，使用X射线计算机断层扫描（XRCT），孔隙度测定，孔隙率测定，和原子力显微镜（AFM）之前，从流量测试的渗透率被用作MPM模型的输入。参数扫描振动幅度，粉末床对流速度，和前体质量分数显示的依赖性，表面滴定的均匀性和残余气体突破的操作条件和粉末的性质。寄生化学气相沉积（CVD）反应时，观察到在第一前体区剂量开始时间和入口气体成分没有优化。
A moving porous media (MPM) modeling methodology was developed for reactor-scale CFD simulations of continuous spatial particle atomic layer deposition (ALD). The continuous vibrating reactor process for particle atomic layer deposition (CVR-ALD) was modeled by treating the powder bed as a porous media which conveys as a sliding and layering dynamic mesh zone inside the vibrating reactor zone. Candidate porous reactor baseplates were experimentally characterized using x-ray computed tomography (XRCT), porometry, porosimetry, and atomic force microscopy (AFM) before permeabilities from flow tests were used as inputs to the MPM model. Parameter sweeps over vibration magnitude, powder bed convection speed, and precursor mass fraction revealed the dependence of surface titration uniformity and residual gas breakthrough on operating conditions and powder properties. Parasitic chemical vapor deposition (CVD) reactions were observed in the first precursor zone when dose start times and inlet gas compositions were not optimized.