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At least 649 records · Page 36

In-situ sensor monitoring of multi-class gas porosity formation in laser powder bed fusion using convolutional neural network

In-situ monitoring of defect formation remains a significant challenge in the laser powder bed fusion (LPBF) process. Recent advances have enabled real-time defect detection with machine learning and in-situ sensing technologies; however, most studies focus on binary classification of keyhole pores, limiting nuanced multi-class pore differentiation and formation mechanisms. This work introduces a multi-class pore detection framework (no pore, small pores < 15 µm, and large pores > 15 µm) by leveraging photodiode sensor data alongside high-fidelity synchrotron X-ray imaging. The 15 µm threshold is selected to distinguish between two fundamentally different defect mechanisms, following the physical size-mechanism boundary established by prior high-resolution synchrotron X-ray characterization of Al6061 LPBF. Distinguishing these classes is critical because large keyhole pores are structurally detrimental, whereas small gas pores are often benign, requiring different process control strategies. Thermal emission monitoring data collected simultaneously with high-speed X-ray imaging at the Stanford Synchrotron Radiation Lightsource (SSRL), are correlated with subsurface melt pool dynamics to establish ground truth. Continuous Wavelet Transform (CWT) with optimized parameters converts the photodiode time-series signals into time–frequency images, facilitating feature extraction. Convolutional Neural Networks (CNN) are then applied for real-time multi-class pore classification in an average inference time of 1 ms per signal window. It achieves 79% accuracy and an Area Under the Receiver Operating Characteristic curve (AUC ROC) score of 0.89 with five-fold cross-validation. The results demonstrate that coupling CWT-based feature engineering with CNN architecture enables reliable multi-class pore detection in Al6061 builds using affordable in-situ sensors. This approach advances scalable and affordable quality assurance in additive manufacturing by moving beyond binary defect detection toward more nuanced classification of porosity mechanisms with in-situ sensors and machine learning.

Laser powder bed fusion, Multi-class pores, In-sit↗

A numerical study of process complexity in permafrost dominated regions

Numerical modeling of permafrost dynamics requires adequate representation of atmospheric and surface processes, a reasonable parameter estimation strategy, and site-specific model development. The three main research objectives of the study are: (i) to propose a novel methodology that determines the required level of surface process complexity of permafrost models by conducting parameter sensitivity and calibration, (ii) to design and compare three numerical models of increasing surface process complexity, and (iii) to calibrate and validate the numerical models at the Yakou catchment on the Qinghai-Tibet Plateau as an exemplary study site. The calibration was carried out by coupling the Advanced Terrestrial Simulator (numerical model) and PEST (calibration tool). Simulation results showed that (i) A simple numerical model that considers only subsurface processes can simulate active layer development with the same accuracy as other more complex models that include surface processes. (ii) Peat and mineral soil layer permeability, Van Genuchten alpha, and porosity are highly sensitive. (iii) Liquid precipitation aids in increasing the rate of permafrost degradation. (iv) Deposition of snow insulated the subsurface during the thaw initiation period. We have developed and released an integrated code that couples the numerical software ATS to the calibration software PEST. The numerical model can be further used to determine the impacts of climate change on permafrost degradation.

Calibration↗

A fast reduced model for a shell-and-tube based latent heat thermal energy storage heat exchanger and its application for cost optimal design by nonlinear programming

Numerical simulation of latent heat thermal energy storage (LHTES) systems plays a fundamental role in studying the physical process and guiding the engineering design. Discretization of the PDEs describing the nonlinear solidification/melting process of phase change materials (PCMs) leads to a large-scale complex dynamics system, where the system behavior depends on a set of parameters. In a design setting, repeated model evaluations are required over the set of parameters results in significant computational burden. In this paper, an explicit analytic solution was built for the propagation of the solidification front in a cylindrical coordinate. The analytic solution approach is further employed to develop a low computational reduced model (RM) as a module for a shell-and-tube based LHTES heat exchanger. The levelized Cost of Energy (LCOE) is used as a design metric and the RM model is used to apply system-level constraints in the nonlinear programming formulation that facilitates efficient global optimal design of the PCM properties, flow conditions and tube geometries. The use of LCOE as the design metric prevents over design of the heat transfer rate and also establishes a fair ground for evaluation of different thermal storage technologies and their integrated applications with other systems. Optimal results showed that a higher effectiveness results in a higher LCOE; the velocity of the HTF and the length of the channel are highly correlated with each other; both larger PCM latent energy and conductivity result in lower LCOE.

25 ENERGY STORAGE↗

Early MRI Blood Volume Changes in Constrictor Muscles Correlate With Postradiation Dysphagia

Predicting individual patient sensitivity to radiation therapy (RT) for tumor control or normal tissue toxicity is necessary to individualize treatment planning. In head and neck cancer, radiation doses are limited by many nearby critical structures, including structures involved in swallowing. Previous efforts showed that imaging parameters correlate with RT dose; here, we investigate the role of dynamic contrast-enhanced magnetic resonance imaging (DCE-MRI) blood volume (BV) changes in predicting dysphagia.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

A prediction model of failure threshold for shear deformation in a Zr-based bulk metallic glass

The failure of bulk metallic glasses (BMGs) during plastic deformation at room temperature is abrupt and instantaneous, while the analysis of precursor information based on avalanche events helps predict catastrophic failure. An acoustic emission (AE) signal can provide accurate precursor information for material failure, due to its sensitive and high fast calculation ability. In the current study, AE monitoring tests are carried out during uniaxial compression tests of BMGs at different strain rates. The AE experimental failure threshold, E max , is proposed on the basis of AE cumulative energy, which reflects the intensity of damage evolution at different loading conditions. Compared with the critical shear band velocity (CSBV) associated with stick-slip dynamics of serrated flow, E max is a more sensitive failure parameter since it is connected with the local microscopic changes that occur during the material response process. Here, the E max is obtained prior to reaching the CSBV since the calculation of these two avalanches analysis focuses on the different stages of shear band growth. In particular, AE events are related to the “dry” friction process in the first stage, however, the CSBV is responsible for the “viscous” glide in the second stage. Therefore, Emax is not affected by the complex interactions between the shear bands during the stick-slip process. The maximum avalanche of serrated flow, S max , is proposed as the experimental failure threshold, which depends on the applied strain rate as S max ~ $\dot{ε}$ –λ . According to the relationship of E max and S max , the theoretical failure threshold, E max , follows a criterion E max = 2545$\dot{ε}$ –λ - 4468, where λ is equivalent to 0.15 for this work. Finally, combining the different calculations and AE measurements, this model gives new insights to predict the deformation failure behavior of Zr-based BMGs.

36 MATERIALS SCIENCE↗

Patchy particle model of hydrated amorphous silica

Glasses corroded in static aqueous conditions typically reach a slow, residual rate of dissolution as a result of the complex interplay between multiple processes. While intrinsically suited to address this problem, Monte Carlo (MC) models developed to date have relied on lattices to describe the amorphous structure of glass and are thus unable to reproduce the residual rate of glass corrosion. A recently developed MC approach based on amorphous structures derived from molecular dynamics simulations offers a solution [Kerisit and Du J. Non-Cryst. Solids 522 (2019) 119601], but it requires a simple model that can rapidly relax the glass-water interface upon each dissolution/condensation event to retain the ability of MC simulations to reach large spatial and temporal scales. To this end, a patchy particle model of hydrated amorphous silica was developed and evaluated against atomistic simulations in this work. Models of water and amorphous silica were first developed separately, and cross terms were then defined to enable simulations of hydrated amorphous silica structures with varying water content. While the nature of its interaction potential prevents the patchy particle model from reproducing simultaneously the structure and dynamics of the systems of interest with a single set of parameters, it described well the connectivity of hydrated amorphous silica structures and the local coordination geometry of individual species. Therefore, this model opens the door to MC simulations of the residual rate of glass corrosion and offers an alternative to atomistic models to investigate the evolution of silica gels over large spatial and temporal scales.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Biologically-inspired rib designs for captured powder damping in additive manufacturing

This paper describes the design and impact testing of laser powder bed fusion 316L stainless steel walls with captured powder cores. The purpose is to determine the effect of biologically-inspired internal ribs on the mode shapes and damping ratios. Comparison is made between five designs: solid and powder core with {no ribs, vertical ribs, hatched ribs, and bat wing ribs}. The powder core increases damping ratios by factors of 2 to 58 depending on the mode number and design. Mode shape and modal parameter evaluations show that the ribbed powder core designs enable tailored dynamics relative to the solid wall.

42 ENGINEERING↗

Bulk properties and multi-particle correlations in large and small systems

Charged particle production is calculated in a hybrid framework consisting of the IP-Glasma initial state, Music viscous relativistic fluid dynamics, and the UrQMD microscopic hadronic cascade. Using one set of parameters, we compute observables for a large variety of collision systems. Furthermore, we compare to experimental data in p+p, p+Pb, Xe+Xe, Au+Au and Pb+Pb collisions at various energies, and make predictions for potential O+O runs at RHIC and LHC.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Determination of the chemical shift tensor anisotropy and asymmetry of strongly dipolar coupled protons under fast MAS

Orientationally-dependent interactions such as dipolar coupling, quadrupolar coupling, and chemical shift anisotropy (CSA) contain a wealth of spatial information that can be used to elucidate molecular conformations and dynamics. To determine the sign of the chemical shift tensor anisotropy parameter (δ aniso ), both the |m| = 1 and |m| = 2 components of the CSA need to be symmetry allowed, while the recoupling of the |m| = 1 term is accompanied with the reintroduction of homonuclear dipolar coupling components. Therefore, previously suggested sequences which solely recouple the |m| = 2 term cannot determine the sign a 1 H's δ aniso in a densely-coupled network. Here, we demonstrate the CSA recoupling of strongly dipolar coupled 1 H spins using the $Cn^1_n (90_{0}360_{180}540_{0}360_{180}90_{0})$ sequence. This pulse scheme recouples both the |m| = 1 and |m| = 2 CSA terms but the scaling factors for the homonuclear dipolar coupling terms are zeroed. Consequently, the sequence is sensitive to the sign of δ aniso but is not influenced by homonuclear dipolar interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Melting Point Depression and Phase Identification of Sugar Alcohols Encapsulated in ZIF Nanopores

Sugar alcohols (SAs) have attractive characteristics as phase-change materials, but their relatively high melting temperature limits their application in the real world. Nanoconfinement can be a useful parameter to reduce the melting temperature to pragmatic ranges. Using molecular dynamics simulations, we investigate the phases and behaviors of encapsulated SA in ZIF-8 and ZIF-11, which cannot be experimentally observed. Based on reliable partial charges for the zeolitic imidazolate framework (ZIF) structures calculated by a density functional theory, structural analysis shows that the SA’s attractive interaction with the ZIF structure frustrates the SA crystallization and also elucidates the second-order phase transition between amorphous phases. A methodology is suggested to determine the phase transition temperature of confined materials and used to quantify the melting temperature depression of the ZIF-confined SAs. We also explored the thermal conductivity of SA-in-ZIF composites. Phonon frequency analysis verifies that the presence of SA molecules enhances the heat transfer by adding heat pathways between the nanoporous structure of ZIFs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Cooperative Role of Mixed Solvent in the Evaporation-Induced Self-Assembly of Polypeptoid Nanocrystals

Peptoids, or polypeptoids, are biomimetic polymers that can self-assemble into nanocrystals for biomedical and biotechnological applications. Polypeptoid nanocrystals can be prepared by evaporation-induced self-assembly, but the roles of solvent components for this process have long been overlooked at the molecular level, leaving a tunable parameter for improving self-assembly protocols. This work utilized molecular dynamics simulations to study the effects of water and the commonly used tetrahydrofuran (THF) on the assembly of nanosheets from molecules of acetylated diblock polypeptoid, poly-(N-decylglycine)-b-poly-(N-2-(2-(2-methoxyethoxy)-ethoxy) ethylglycine), abbreviated as Ac-Ndc10-Nte10. To probe the stages of self-assembly, isolated molecules and preassembled nanofibers/nanosheets were simulated in pure THF, water, and their mixtures, respectively. The assembly energies show that the THF/water mixture has a greater tendency to form nanosheets than pure water. In a THF/water mixture, polypeptoids were found more uncoiled in isolated states, less compact in disordered agglomerates, and with reduced requirement for the Nte block to cover hydrophobic Ndc surfaces in the nanocrystals. Mixed solvent is vital to initiating self-assembly, as THF assists in the opening of coiled polypeptoid molecules, while water provides the thermodynamics to aggregate and ultimately form nanocrystals. To obtain wider nanosheets, it is recommended that some THF be maintained in the aqueous solvent before it becomes exhausted by evaporation. Near the nanosheet surface, the THF concentration is higher than that in bulk solution (3-4 times in 4 M THF/water). The strong adsorption of THF indicates the self-assembly in a de facto mixed solvent. These results are expected to guide the refinement of evaporation-induced self-assembly protocols for polypeptoid nanocrystals.

Luo, Xubo↗

Charge-density-wave quantum critical point under pressure in 2 H -TaSe 2

The presence of a quantum-critical point (QCP) at which a nearby ordered phase is suppressed to zero temperature is often invoked to explain emergent quantum phases, e.g. superconductivity. Yet, identifying a QCP and establishing its correlation with superconductivity remains challenging. Materials featuring charge-density-wave (CDW) order and superconductivity offer a clear scenario as both states can be associated with electron-phonon coupling. Here, we uncover a CDW-QCP and demonstrate its interrelation with superconductivity in the prototypical transition-metal dichalcogenide 2 H -TaSe 2 . We determine the evolution of the CDW state up to and beyond its suppression at the critical pressure p c = 19.9(1) GPa by means of X-ray diffraction and inelastic X-ray scattering measurements providing a full crystallographic refinement of the commensurate CDW superstructure. The pressure-induced CDW-QCP in close vicinity to the maximum superconducting transition temperature. Ab-initio lattice dynamical calculations corroborate that 2 H -TaSe 2 features order-parameter fluctuation enhanced superconductivity and can serve as a paradigm to investigate superconductivity near a CDW-QCP.

critical phenomena↗

High-resolution particle-in-cell simulations of two-dimensional Bernstein–Greene–Kruskal modes

We present two-dimensional (2D) particle-in-cell (PIC) simulations of 2D Bernstein–Greene–Kruskal modes, which are exact nonlinear steady-state solutions of the Vlasov–Poisson equations, on a 2D plane perpendicular to a background magnetic field, with a cylindrically symmetric electric potential localized on the plane. PIC simulations are initialized using analytic electron distributions and electric potentials from the theory. We confirm the validity of such solutions using high-resolutions up to a 20482 grid. We show that the solutions are dynamically stable for a stronger background magnetic field, while keeping other parameters of the model fixed, but become unstable when the field strength is weaker than a certain value. When a mode becomes unstable, we observe that the instability begins with the excitation of azimuthal electrostatic waves that ends with a spiral pattern.

Physics↗

Study of synchronous RF pulsing in dual frequency capacitively coupled plasma

Low-pressure multi-frequency capacitively coupled plasmas (CCPs) are used for numerous etch and deposition applications in the semiconductor industry. Pulsing of the radio-frequency (RF) sources enables control of neutral and charged species in the plasma on a millisecond timescale. The synchronous (i.e. simultaneous, in-phase) pulsing of both power sources in a dual frequency CCP is examined in this article. Due to the low gas pressure, modeling has been done using the electrostatic particle-in-cell/Monte Carlo collision method. Here, the objective of this work is to investigate the sensitivity of the plasma properties to small changes in timing during synchronous pulsing of the two RF sources. It is demonstrated that small deviations in the on and off times of the two RF sources can lead to major changes in the plasma characteristics. This high sensitivity is of concern for process repeatability but can be utilized to enable better control of the dynamics of plasma-surface interaction. In the simulations, the pulsing parameters (on and off times and ramp rates) are varied and the temporal evolution of plasma characteristics such as electron density (n e ), species current at the electrode, and electron temperature are examined. It is demonstrated that if the low-frequency (LF) source is turned off a few μs before (or after) the high-frequency source, n e during the off-state is significantly higher (or lower) due to the frequency coupling effect. Similarly, turning on the LF source with a small delay results in a sharp increase in the plasma density when the RF sources are turned on.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Identified charged hadron production in Au+Au collisions at $\sqrt{s_{NN}}$ = 54.4 GeV with the STAR detector

Here, we present results on the production of 𝜋±, 𝐾±, 𝑝, and $\bar{𝑝}$ in Au+Au collisions at $\sqrt{𝑠_{N⁢N}}$ = 54.4~GeV using the STAR detector at RHIC, at mid-rapidity (|𝑦|< 0.1). Invariant yields of these particles as a function of transverse momentum are shown. We determine bulk properties such as integrated particle yields (𝑑 ⁢𝑁 /𝑑 ⁢𝑦 ), mean transverse momentum (⟨𝑝 𝑇 ⟩), particle ratios, which provide insight into the particle production mechanisms. Additionally, the kinetic freeze-out parameters (𝑇 kin and ⟨𝛽 𝑇 ⟩), which provide information about the dynamics of the system at the time of freeze-out, are obtained. The Bjorken energy density (𝜖 𝐵⁢𝐽 ), which gives an estimate of the energy density in the central rapidity region of the collision zone at the formation time 𝜏, is calculated and presented as a function of multiplicity for various energies. The results are compared with those from the models such as A Multi-Phase Transport (AMPT) and Heavy Ion Jet INteraction Generator (HIJING) for further insights.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

3D small-gain formula allowing strong focusing and harmonic lasing for a ring-based x-ray free electron laser oscillator

We present a detailed derivation of a formula for the small-gain calculation for an x-ray free electron laser oscillator (XFELO) based on a medium-energy (3–4 GeV) storage ring. We found harmonic lasing and strong focusing are essential for this beam energy range. Taking the small-signal low-gain formula developed by Kim and his colleagues, we modified it in such a way that the gain can be calculated without the “no focusing approximation,” and a strong focusing can be applied, as well as harmonic lasing. In this formula, the gain is represented as a product of two factors with one of them depending only on the harmonic number, undulator period, and gap. Using this factor, we show that it is favorable to use harmonic lasing to achieve hard x-ray FEL working in the small-signal low-gain regime with the medium-energy electron beam. Our formula also allows FEL optimization by varying the vertical gradient of the undulator, the vertical dispersion, and the horizontal and vertical focusing, independently. As an example, we applied this formula to study the feasibility of an XFELO option for the National Synchrotron Light Source II (NSLS-II) upgrade. Since a quite high peak current is required for the FEL, collective effects of beam dynamics in medium-energy synchrotrons significantly affect the electron beam parameters. We carried out a multiparameter optimization taking collective effects into account. Note, even though our example is for a ring-based XFELO at 3 to 4 GeV, the formula and, in particular, the approach developed here may be applied to other types of FELs. Published by the American Physical Society 2024

36 MATERIALS SCIENCE↗

Commensuration Effects in Layered Nanoparticle Solids.

We have developed a hierarchical nanoparticle transport simulator (HINTS) and adapted it to study commensuration effects in two classes of nanoparticle (NP) solids: (1) a bilayer NP solid (BNS) with an energy offset and (2) a BNS as part of a field effect transistor (FET). HINTS integrates the ab initio characterization of single NPs with the phonon-assisted tunneling transition model of the NP-NP transitions into a kinetic Monte Carlo based simulation of the charge transport in NP solids. First, we studied a BNS with an interlayer energy offset Delta, possibly caused by a fixed electric field. Our results include the following. First, in the independent energy-offset model, we observed the emergence of commensuration effects when scanning the electron filling factor (FF) across integer values. These commensuration effects were profound as they reduced the mobility by several orders of magnitude. We analyzed these commensuration effects in a five-dimensional parameter space, as a function of the on-site charging energy E-C, energy offset Delta, disorder D, the electron FF, and temperature k(B)T. We demonstrated the complexity of our model by showing that at integer FFs commensuration effects are present in some regions of the parameter space, while they vanish in other regions, thus defining distinct dynamical phases of the model. We determined the phase boundaries between these dynamical phases. Second, using these results as a foundation, we shifted our focus to the experimentally much-studied NP-FETs. NP-FETs are also characterized by an interlayer energy offset Delta, which, in contrast to our first model, is set by the gate voltage V-G and thereby related to the electron FF. We repeated many of our simulations and again demonstrated the emergence of commensuration effects and distinct dynamical phases in these NP-FETs. Notably, the commensuration effects in the NP-FETs showed many similarities to those in the independent energy-offset BNS.

Qu, Luman↗