arXiv subjects

Saad A. Khairallah

Publications and source records attributed to Saad A. Khairallah.

5 recordsLinked to original sources

arXiv2024

Data-Driven, Parameterized Reduced-order Models for Predicting Distortion in Metal 3D Printing

In Laser Powder Bed Fusion (LPBF), the applied laser energy produces high thermal gradients that lead to unacceptable final part distortion. Accurate distortion prediction is essential for optimizing the 3D printing process and manufacturing a part that meets geometric accuracy requirements. This study introduces data-driven parameterized reduced-order models (ROMs) to predict distortion in LPBF across various machine process settings. We propose a ROM framework that combines Proper Orthogonal Decomposition (POD) with Gaussian Process Regression (GPR) and compare its performance against a deep-learning based parameterized graph convolutional autoencoder (GCA). The POD-GPR model demonstrates high accuracy, predicting distortions within $\pm0.001mm$, and delivers a computational speed-up of approximately 1800x.

cs.LG↗

arXiv2023

A Data-Driven, Non-Linear, Parameterized Reduced Order Model of Metal 3D Printing

Directed energy deposition (DED) is a promising metal additive manufacturing technology capable of 3D printing metal parts with complex geometries at lower cost compared to traditional manufacturing. The technology is most effective when process parameters like laser scan speed and power are optimized for a particular geometry and alloy. To accelerate optimization, we apply a data-driven, parameterized, non-linear reduced-order model (ROM) called Gaussian Process Latent Space Dynamics Identification (GPLaSDI) to physics-based DED simulation data. With an appropriate choice of hyperparameters, GPLaSDI is an effective ROM for this application, with a worst-case error of about 8% and a speed-up of about 1,000,000x with respect to the corresponding physics-based data.

math.NA↗

arXiv2016

Laser powder-bed fusion additive manufacturing: physics of complex melt flow and formation mechanisms of pores, spatter and denudation zones

This study demonstrates the significant effect of the recoil pressure and Marangoni convection in laser powder bed fusion (L-PBF) of 316L stainless steel. A three-dimensional high fidelity powder-scale model reveals how the strong dynamical melt flow generates pore defects, material spattering (sparking), and denudation zones. The melt track is divided into three sections: a topological depression, a transition and a tail region, each being the location of specific physical effects. The inclusion of laser ray-tracing energy deposition in the powder-scale model improves over traditional volumetric energy deposition. It enables partial particle melting, which impacts pore defects in the denudation zone. Different pore formation mechanisms are observed at the edge of a scan track, at the melt pool bottom (during collapse of the pool depression), and at the end of the melt track (during laser power ramp down). Remedies to these undesirable pores are discussed. The results are validated against the experiments and the sensitivity to laser absorptivity is discussed.

physics.flu-dyn↗

arXiv2011

Path Integral Calculations of the Hydrogen Hugoniot Using Augmented Nodes

We calculate the hydrogen Hugoniot using ab initio path integral Monte Carlo. We introduce an efficient finite-temperature fixed-node approximation for handling fermions, which includes an optimized mixture of free particle states and atomic orbitals. The calculated Hugoniot confirms previous fixed-node path integral calculations at temperatures around T=30,000 K and above, while approaching smoothly the low temperature gas gun results. The ability to optimize the free energy within the path integral opens many new possibilities for developing nodal density matrices for path integral simulations of other chemical systems.

cond-mat.mtrl-sci↗

arXiv2005

Superfluidity of Dense $^4$He in Vycor

We calculate properties of a model of $^4$He in Vycor using the Path Integral Monte Carlo method. We find that $^4$He forms a distinct layered structure with a highly localized first layer, a disordered second layer with some atoms delocalized and able to give rise to the observed superfluid response, and higher layers nearly perfect crystals. The addition of a single $^3$He atom was enough to bring down the total superfluidity by blocking the exchange in the second layer. Our results are consistent with the persistent liquid layer model to explain the observations. Such a model may be relevant to the experiments on bulk solid $^4$He, if there is a fine network of grain boundaries in those systems.

physics.comp-ph↗