Advanced manufacturing creates increasingly complex objects with material compositions that are often difficult to characterize by a single modality. Our collaborating domain scientists are going beyond traditional methods by employing both X-ray and neutron computed tomography to obtain complementary representations expected to better resolve material boundaries. However, the use of two modalities creates its own challenges for visualization, requiring either complex adjustments of bimodal transfer functions or the need for multiple views. Together with experts in nondestructive evaluation, we designed a novel interactive bimodal visualization approach to create a combined view of the co-registered X-ray and neutron acquisitions of industrial objects. Using an automatic topological segmentation of the bivariate histogram of X-ray and neutron values as a starting point, the system provides a simple yet effective interface to easily create, explore, and adjust a bimodal visualization. We propose a widget with simple brushing interactions that enables the user to quickly correct the segmented histogram results. Our semiautomated system enables domain experts to intuitively explore large bimodal datasets without the need for either advanced segmentation algorithms or knowledge of visualization techniques. We demonstrate our approach using synthetic examples, industrial phantom objects created to stress bimodal scanning techniques, and real-world objects, and we discuss expert feedback.
Laser ultrasonics is a remote nondestructive evaluation technique suitable for real-time monitoring of fabrication processes in semiconductor metrology, advanced manufacturing, and other applications where non-contact, high fidelity measurements are required. Here we investigate laser ultrasonic data processing approaches to reconstruct images of subsurface side drilled holes in aluminum alloy specimens. We demonstrate through simulation that the model-based linear sampling method (LSM) can perform accurate shape reconstruction of single and multiple holes and produce images with well-defined boundaries. We experimentally confirm that LSM produces images that represent the internal geometric features of an object, some of which may be missed by conventional imaging.
Cellular lattice structures possess high strength-to-weight ratios suitable for advanced lightweight engineering applications. However, their quality and mechanical performance can degrade because of defects introduced during manufacturing or in-service. Their complexity and small length scale features make defects difficult to detect using conventional nondestructive evaluation methods. Here we propose a current injection-based method, electrical resistance tomography (ERT), that can be used to detect damaged struts in conductive cellular lattice structures with their intrinsic electromechanical properties. The reconstructed conductivity distributions from ERT can reveal the severity and location of damaged struts without having to probe each strut. However, the low central sensitivity of ERT may result in image artifacts and inaccurate localization of damaged struts. To address this issue, this study introduces an absolute, high throughput, conductivity reconstruction algorithm for 3D ERT. The algorithm incorporates a strut-based normalized sensitivity map to compensate for lower interior sensitivity and suppresses reconstruction artifacts. Numerical simulations and experiments on fabricated representative cellular lattice structures were performed to verify the ability of ERT to quantitatively identify single and multiple damaged struts. The improved performance of this method compared with classical ERT was observed, based on greatly decreased imaging and reconstructed value errors.
Artifacts , Tomography , Electric Impedance , Algorithms , Electric Conductivity
Intra- and inter-layer integrity of components fabricated with advanced manufacturing techniques, such as laser powder bed fusion, is dependent upon rapid heating, melting, and solidification processes. There is a need for new techniques to provide in situ feedback of these processes. Here a laser-based ultrasonic technique to probe thermal effects induced by a high-power continuous wave laser in titanium samples is described. Numerical simulations were performed to show that, for a spatially uniform heating beam, laser-induced surface acoustic waves are strongly influenced by surface heating conditions, are dispersive in the case of rapid heating, and that an abrupt velocity reduction happens upon the onset of surface melting. Furthermore, laser-based ultrasound experimental results which monitor the transient change of surface wave travel time associated with high power laser surface heating are provided. A pulsed laser is used to generate high frequency surface acoustic waves that propagate through the laser-heated region and are detected using a photorefractive crystal-based interferometer. Qualitative agreement is observed between theory and experiment with both showing a rapid reduction in the surface wave velocity at the onset of illumination and further decrease in surface wave velocity associated with melting. It is demonstrated that changes in the surface wave velocity can be used to track local heating and detect the onset of surface melting in real time.
Structures formed by advanced manufacturing methods increasingly require nondestructive characterization to enable efficient fabrication and to ensure performance targets are met. This is especially important for aerospace, military, and high precision applications. Surface acoustic waves (SAW) generated by laser-based ultrasound can detect surface and sub-surface defects relevant for a broad range of advanced manufacturing processes, including laser powder bed fusion (LPBF). In particular, an all-optical SAW generation and detection configuration can effectively interrogate laser melt lines. Here we report on scattered acoustic energy from melt lines, voids, and surface features. Sub-surface voids are also characterized using X-ray Computed Tomography (CT). High resolution CT results are presented and compared with SAW measurements. Finite difference simulations inform experimental measurements and analysis.
This article presents a millimeter-wave diagnostic for the in-situ monitoring of liquid metal jetting additive manufacturing systems. The diagnostic leverages a T-junction waveguide device to monitor impedance changes due to jetted metal droplets in real time. An analytical formulation for the time-domain T-junction operation is presented and supported with a quasi-static full-wave electromagnetic simulation model. The approach is evaluated experimentally with metallic spheres of known diameters ranging from 0.79 to 3.18 mm. It is then demonstrated in a custom drop-on-demand liquid metal jetting system where effective droplet diameters ranging from 0.8 to 1.6 mm are detected. Experimental results demonstrate that this approach can provide information about droplet size, timing, and motion by monitoring a single parameter, the reflection coefficient amplitude at the input port. These results show the promise of the impedance diagnostic as a reliable in-situ characterization method for metal droplets in an advanced manufacturing system.
We present a coarse-grained MARTINI model for methylene blue (MB) and investigate the interactions of MB with dioleylphosphatidylcholine (DOPC) lipid bilayers by molecular dynamics simulations. Our results show that the charge state of MB and the oxidation degree of the DOPC bilayer play critical roles on membrane properties. Oxidation of the DOPC bilayer significantly increases permeability of water and MB molecules, irrespective of the charge state of MB. The most significant changes in membrane properties are obtained for peroxidized lipid bilayers in the presence of cationic MB, with â¼11% increase in the membrane area per lipid head group and â¼7 and 44% reduction in membrane thickness and lateral diffusivity, respectively.
Phosphatidylcholines/chemistry , Lipid Bilayers , Methylene Blue , Molecular Dynamics Simulation
Molecular dynamics (MD) and Monte Carlo (MC) simulations were applied together for the first time to reveal the porous structure transformation mechanisms of mesoporous silica MCM-41 subjected to temperatures up to 2885 K. Silica was experimentally characterized to inform the models and enable prediction of changes in gas adsorption/separation properties. MD simulations suggest that the pore closure process is activated by a collective diffusion of matrix atoms into the porous region, accompanied by bond reformation at the surface. Degradation is kinetically limited, such that complete pore closure is postponed at high heating rates. We experimentally observe decreased gas adsorption with increasing temperature in mesoporous silica heated at fixed rates, due to pore closure and structural degradation consistent with simulation predictions. Applying the Kissinger equation, we find a strong correlation between the simulated pore collapse temperatures and the experimental values which implies an activation energy of 416 ± 17 kJ/mol for pore closure. MC simulations give the adsorption and selectivity for thermally treated MCM-41, for N2, Ar, Kr, and Xe at room temperature within the 1-10â¯000 kPa pressure range. Relative to pristine MCM-41, we observe that increased surface roughness due to decreasing pore size amplifies the difference of the absolute adsorption amount differently for different adsorbate molecules. In particular, we find that adsorption of strongly interacting molecules can be enhanced in the low-pressure region while adsorption of weakly interacting molecules is inhibited. This then results in higher selectivity in binary mixture adsorption in mesoporous silica.
We investigate the interactions of Pluronics L61 and L64 with a dioleylphosphatidylcholine (DOPC) lipid bilayer by atomistic molecular dynamics simulations using the all-atom OPLS force field. Our results show that the initial configuration of the polymer with respect to the bilayer determines its final conformation within the bilayer. When the polymer is initially placed at the lipid/water interface, we observe partial insertion of the polymer in a U-shaped conformation. On the other hand, when the polymer is centered at the bilayer, it stabilizes to a transmembrane state, which facilitates water transport across the bilayer. We show that membrane thickness decreases while its fluidity increases in the presence of Pluronics. When the polymer concentration inside the bilayer is high, pore formation is initiated with L64. Our results show good agreement with existing experimental data and reveal that the hydrophilic/lipophilic balance of the polymer plays a critical role in the interaction mechanisms as well as in the dynamics of Pluronics with and within the bilayer.
Triblock copolymers comprised of poly(ethylene oxide)-poly(propylene oxide)-poly(ethylene oxide) (PEO-PPO-PEO, or trade name Pluronic) interact with lipid bilayers to increase their permeability. Here we demonstrate a novel application of Pluronic L61 and L64 as modification agents in tailoring the release rate of a molecular indicator species from 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC) bilayer-coated superparamagnetic Fe3O4/mesoporous silica core-shell nanoparticles. We show there is a direct relationship between the Pluronics' concentration and the indicator molecule release, suggesting Pluronics may be useful for the controlled release of drugs from lipid bilayer-coated carriers.
Lipid Bilayers , Nanoparticles , Polymers/chemistry , Silicon Dioxide , Microscopy, Electron, Transmission
Millimeter sized arrays of uniformly-distributed nanopores (180-220 nm) were created in thin (200 nm) silicon nitride membranes using interferometric lithography. Molecular transport properties of the fabricated devices were investigated experimentally and compared with those of state-of-the-art polycarbonate track etched membranes. Two similarly-sized proteins, bovine serum albumin (BSA) and bovine hemoglobin (BHb), were used as permeates in the transport experiments. Up to 40 fold higher pore fluxes were achieved with unmodified silicon nitride membranes relative to thicker commercial nanoporous membranes. Similarly, in mixed protein experiments, â¼5.0 and 1.9 fold higher BSA and BHb selectivities were obtained with fabricated thin membranes at pH 4.7 and 7.0, respectively, relative to the commercial nanoporous membranes.
Hemoglobins/chemistry , Membranes, Artificial , Nanopores/ultrastructure , Serum Albumin, Bovine/chemistry , Animals , Diffusion , Hemoglobins/metabolism , Interferometry , Serum Albumin, Bovine/metabolism , Silicon Compounds/chemistry
Molecular transport properties in short cylindrical and pyramidal nanopores are investigated by mesoscale dissipative particle dynamics simulations. We examine the effect of pore geometry, size, flow direction, particle diameter and electrostatic forces on membrane flux, selectivity and fouling. Biomolecules of various sizes are represented by spherical particles as they move through nanopores. The highest molecular concentration in pores is obtained with a cylindrical geometry, whereas the lowest concentration is obtained with a pyramidal geometry when the molecular transport direction is from large to small pore opening. This reveals a higher tendency for fouling in cylindrical pores relative to pyramidal pores. In general, increasing pore size and decreasing molecular diameter increase diffusion and fluxes, as expected, and the highest fluxes are achieved when the molecule is in neutral state. For large, short pores, higher diffusion rates are achieved with a cylindrical geometry compared to a pyramidal geometry. For pore: particle diameter ratios below 10, highly restricted motion is observed. In the presence of electrostatic forces, the molecular separation potential of pyramidal pores is 1.5× higher relative to short cylindrical pores, although the diffusion rate with cylindrical pores is 1.8× higher. Finally, we demonstrate that decreasing the pore size by a factor of 1.2 can reduce the pore molecular concentration by at least a factor of 3 for all pore types. This finding is consistent with a surprising recent experimental study in which larger ceramic pores were observed to foul much faster than smaller pores.
Nanopores , Animals , Cattle , Diffusion , Filtration , Serum Albumin/chemistry , Serum Albumin/metabolism , Static Electricity
