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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Accelerating laser ray tracing in high fidelity physics simulations of laser melting using squeeze U-net

Laser melting is a core component of the ongoing industrial revolution, dubbed Industry 4.0, as lasers facilitate fast and precise melting and fusion in advanced manufacturing. There is a strong need to optimize the laser process using simulations. However, this has proven challenging as high fidelity simulations are needed for predictive modeling and this is currently prohibitively expensive even when run on hundreds of processors on high performance computers. The challenge is capturing complex physics of laser material interaction, fluid dynamics, thermal physics and material phase transformations at various length and time scales. To close this technological gap, we modified a squeeze U-net to accelerate the laser ray tracing component of such high fidelity models by ~4x–40x while preserving the core physics principle of conservation of energy with 97% accuracy. This approach enables the accurate modeling of global laser energy absorption as a function of local surface temperatures and complex surface topologies, which govern the reflection directions and energy losses of laser rays upon interacting with the material surface.

Computer science↗
DOE OSTI2023

An extended Vlasov–Fokker–Planck approach for kinetic simulations of laser plasmas

Vlasov–Fokker–Planck simulation codes occupy an important niche in modeling laser-produced plasmas, since they are well suited to studying the effect of collisions on electron kinetic phenomena, especially energy transport. One of the most important elements of energy transport is the absorption of laser light by the plasma; however, simulating this in detail requires resolving oscillations of the laser light, whose characteristic timescale is orders of magnitude shorter than the simulation time needed to study transport physics. For this reason, most Vlasov–Fokker–Planck codes used to study electron transport in laser plasmas rely on simplified models of the laser–plasma coupling. Their underlying assumptions nominally preclude their use for modeling laser light having short-scale structure in space or time, such as broadband lasers. In this work, we derive a more general computational framework suitable for arbitrarily structured laser fields. Furthermore, our approach is based on an extended set of Vlasov–Fokker–Planck equations that separately solve for the low- and high-frequency plasma response. We implement these extended Vlasov–Fokker–Planck equations in the spherical harmonic code K2 and demonstrate the performance of the method on several laser absorption test problems, with particular attention to the judicious selection of time steps, time integrators, and spherical harmonic truncation, according to the intensity and spectrum of the laser light under consideration. Comparison with the widely used Langdon absorption operator shows the Langdon operator performs remarkably well for predicting laser heating in the simple cases considered here, even in situations that would seem to violate its underlying assumptions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Particle-in-cell simulation of laser wakefield accelerators with oblique lasers in quasicylindrical geometry

In the studies of optical injections in laser or beam-driven wakefield accelerators, there is a frequent demand for using obliquely propagating assistant lasers in particle-in-cell simulations. In conventional methods, this is only possible in either two- or three-dimensional Cartesian geometries, which have the drawbacks of either lack of fidelity for the actual situation or requiring a huge amount of computational resources. In this work, we develop a new method that uses an expression-defined oblique laser field to simulate such situations in quasicylindrical geometry particle-in-cell simulations, having the advantages of both maintaining good fidelity and saving computational resources. As an example, we use this method in the scissor-cross ionization injection scheme for the optimization of the injected beam quality. This method is widely applicable to particle injections with assistant lasers in wakefield accelerators, as long as the assistant lasers only influence the injected particles during the injection process. Published by the American Physical Society 2025

Ma, Minghao (ORCID:0009000602317775)↗
DOE OSTI2025

High-resolution in-situ characterization of laser powder bed fusion via transmission X-ray microscopy at X-ray free electron lasers

In this work, we describe the instrumentation used to perform the first operando transmission X-ray microscopy (TXM) and simultaneous X-ray diffraction of laser melting simulating laser powder bed fusion on the XCS instrument at the Linac Coherent Light Source (LCLS) X-ray free-electron laser (XFEL). Our TXM with 40× magnification in the X-ray regime at 11 keV gave spatial resolutions down to 940 nm per line pair, with effective pixel sizes down to 206 nm, image integration times of <100 fs, and frame rates tunable between 2.1 and 119 ns for two probe frames (0.48 GHz to 8.4 MHz). Images were recorded on Zyla and Icarus (UXI) detectors to trade off between spatial resolution and time dynamics. A 1 kW CW IR laser was coupled into the interaction point to conduct pump–probe studies of laser melting and solidification dynamics. Our temporal and spatial resolution with attenuation-based contrast exceeds that currently possible with synchrotron-based high-speed radiography. This system was sensitive to feature velocities of 10–12000 m s −1 but we did not observe any motion in this range in the laser melting of Al6061 alloy. Shockwaves were not observed and hot cracking proceeded at velocities below the detection limits. Pore accumulation was observed between successive shots, indicating that bubble escape mechanisms were not active. With proper experimental design, the spatial resolution, contrast and field of view could be further improved or modified. The increased brightness and narrower bandwidth of the XFEL allowed for this imaging technique and it lays the groundwork for a wide range of operando techniques to study additive manufacturing.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

The application of parallel kinetic simulations to laser and electron transport through plasmas (Final technical report)

This is a final report for the grant entitled, “The application of parallel kinetic simulations to laser and electron transport through plasmas”. The objectives of this grant were to significantly advance the fundamental understanding of the nonlinear optics of plasmas and electron transport in high-energy-density laboratory plasmas (HEDLP), including conditions of relevance to Inertial Fusion Energy (IFE). The ultimate goal was to use the understanding to determine how to fully control laser plasma interactions. The primary research tools were our own kinetic particle-in-cell software, OSIRIS, that includes kinetic physics and can run effectively on leadership class computing facilities. Therefore, one objective was to ensure that OSIRIS in continually improved so that it was more accurate and could effectively utilize state-of-the-art computing facilities. Another objective was to attract and train young researchers into the field of high energy density plasma physics. To meet the research objectives, the funds from this proposal were used to conduct research on stimulated Raman scattering (SRS) and enhance our PIC software OSIRIS. It was found that small normalized magnetic fields can in some cases mitigate SRS and that speckles can mutually interact through SRS. It was also found that it is possible for instabilities drive near quarter critical (e.g., the high frequency hybrid instability-HFHI) can generate light waves that propagate back down a density gradient where they can rescatter into the HFHI at 1/16 of the original quarter critical density.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

A novel physics-based and data-supported microstructure model for part-scale simulation of laser powder bed fusion of Ti-6Al-4V

The elasto-plastic material behavior, material strength and failure modes of metals fabricated by additive manufacturing technologies are significantly determined by the underlying process-specific microstructure evolution. In this work a novel physics-based and data-supported phenomenological microstructure model for Ti-6Al-4V is proposed that is suitable for the part-scale simulation of laser powder bed fusion processes. The model predicts spatially homogenized phase fractions of the most relevant microstructural species, namely the stable β-phase, the stable α s -phase as well as the metastable Martensite α m -phase, in a physically consistent manner. In particular, the modeled microstructure evolution, in form of diffusion-based and non-diffusional transformations, is a pure consequence of energy and mobility competitions among the different species, without the need for heuristic transformation criteria as often applied in existing models. The mathematically consistent formulation of the evolution equations in rate form renders the model suitable for the practically relevant scenario of temperature- or time-dependent diffusion coefficients, arbitrary temperature profiles, and multiple coexisting phases. Due to its physically motivated foundation, the proposed model requires only a minimal number of free parameters, which are determined in an inverse identification process considering a broad experimental data basis in form of time-temperature transformation diagrams. Subsequently, the predictive ability of the model is demonstrated by means of continuous cooling transformation diagrams, showing that experimentally observed characteristics such as critical cooling rates emerge naturally from the proposed microstructure model, instead of being enforced as heuristic transformation criteria. Eventually, the proposed model is exploited to predict the microstructure evolution for a realistic selective laser melting application scenario and for the cooling/quenching process of a Ti-6Al-4V cube of practically relevant size. Numerical results confirm experimental observations that Martensite is the dominating microstructure species in regimes of high cooling rates, e.g., due to highly localized heat sources or in near-surface domains, while a proper manipulation of the temperature field, e.g., by preheating the base-plate in selective laser melting, can suppress the formation of this metastable phase.

Inverse parameter identification↗
DOE OSTI2021

Propagation of Input Uncertainties in Numerical Simulations of Laser Powder Bed Fusion

Laser powder bed fusion has the potential of redefining state-of-the-art processing and production methods, but defect formation and inconsistent build quality have limited the implementation of this process. Numerical models are widely used to study this process and predict the formation of these defects. Presently, the uncertainties of model input parameters and thermophysical properties used by these numerical simulations have not been investigated. In the present study, the uncertainty in these input parameters and material properties are quantified for laser powder bed fusion, with and without a simulated powder bed, to determine their influence on the predictive accuracy of an experimentally validated numerical model. Accounting for all possible sources of uncertainty quickly becomes computationally expensive on account of the curse of dimensionality. Uncertainty in laser absorption, solid, and liquid specific heat of the metal were found to have the largest effect on model prediction reliability with or without the use of a powder bed. Results also illustrate that accounting for these three uncertain parameters still captures the majority of model prediction uncertainty. Furthermore, the methodology of this study may be used to understand the uncertainty in as-built microstructure through propagation to microstructure prediction models, or applied under processing conditions where high Péclet numbers are observed and the thermal convection and fluid flow within the molten pool are substantial.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

An attempt to simulate laser-induced all-optical spin switching in a crystalline ferrimagnet

Interest in all-optical spin switching (AOS) is growing rapidly. The recent discovery of AOS in Mn 2 RuGa provides a much needed clean case of crystalline ferrimagnets for theoretical simulations. Here, we attempt to simulate it using the state-of-the-art first-principles method combined with the Heisenberg exchange model. We first compute the spin moments at two inequivalent manganese sites and then feed them into our model Hamiltonian. We employ an ultrafast laser pulse to switch the spins. We find that there is a similar optimal laser field amplitude to switch spins. However, we find that the exchange interaction has a significant effect on the system switchability. Weakening the exchange interaction could make the system unswitchable. This provides a crucial insight into the switching mechanism in ferrimagnets.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A Gaussian Process-Based extended Goldak heat source model for finite element simulation of laser powder bed fusion additive manufacturing process

In this study, laser powder bed fusion (L-PBF) additive manufacturing (AM) is a key enabling technology to manufacture highly complex and integrated metallic structures. In L-PBF AM process, the melting of the metal powders and the layers underneath can be governed by either “conduction mode” or “keyhole mode”, with the keyhole mode reportedly leading to porosity and decreased strength and ductility by many studies. In part scale simulations, finite element (FE) model is often used to study the temperature distribution during printing and to predict the residual stress, where a volumetric heat flux with a Gaussian or a double ellipsoidal (Goldak) distribution is often applied as the laser heat source. However, the above heat source models can only capture the melt pool shape in the conduction mode, and fail to capture the transition to keyhole melting mode when the process parameters change. To overcome this inaccuracy, an extended Goldak heat source model is proposed by introducing a laser penetration term as a function of laser parameters obtained from a Gaussian-Process (GP) model. The model is validated by “2D pad” AlSi10Mg L-PBF experiments under a wide range of laser power, scan speed, and laser focus offset, and the results show the model successfully captures the measured melt pool shape in all conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Ionization of HCCI Neutral and Cations by Strong Laser Fields Simulated With Time Dependent Configuration Interaction

Strong field ionization of neutral iodoacetylene (HCCI) can produce a coherent superposition of the X and A cations. This superposition results in charge migration between the CC π orbital and the iodine π-type lone pair which can be monitored by strong field ionization with short, intense probe pulses. Strong field ionization of the X and A states of HCCI cation was simulated with time-dependent configuration interaction using singly ionized configurations and singly excited, singly ionized configurations (TD-CISD-IP) and an absorbing boundary. Studies with static fields were used to obtain the 3-dimensional angular dependence of instantaneous ionization rates by strong fields and the orbitals involved in producing the cations and dications. The frequency of charge oscillation is determined by the energy separation of the X and A states; this separation can change depending on the direction and strength of the field. Furthermore, fields along the molecular axis can cause extensive mixing between the field-free X and A configurations. For coherent superpositions of the X and A states, the charge oscillations are characterized by two frequencies–the driving frequency of the laser field of the probe pulse and the intrinsic frequency due to the energy separation between the X and A states. For linear and circularly polarized pulses, the ionization rates show marked differences that depend on the polarization direction of the pulse, the carrier envelope phase and initial phase of the superposition. Varying the initial phase of the superposition at the beginning of the probe pulse is analogous to changing the delay between the pump and probe pulses. The charge oscillation in the coherent superposition of the X and A states results in maxima and minima in the ionization yield as a function of the superposition phase

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Investigating the Potential and Limitations of Fast Scanning Calorimetry to Simulate the Laser Power Bed Fusion Coalescence Process

Laser-Based Powder Bed Fusion (PBF-LB) • PBF-LB is part of one of seven additive manufacturing techniques • Layer wise printing that selectively coalesces discrete powder particles into a solid object o Advantages: Low anisotropy, use of engineering grade materials o Weaknesses: lack of method standardization, challenges in controlled post print quality

Blackman, Malik A. [Georgia Inst. of Technology, A↗
DOE OSTI2024

A Simple Non-Planckian Radiation Source for ICF and HED Simulations (Rev.1)

The purpose of this paper is to present a simple way to build frequency dependent spectral (FDS) sources for use in inertial confinement fusion and high energy density physics simulations. This process takes an arbitrary temperature history and converts it into a radiation source with both Planckian and non-Planckian components, the latter of which is to describe high energy photon energies emitted by gold hohlraums. This method is then used to generate spectral energy sources for use in inertial confinement fusion (ICF) and high energy density (HED) simulations which are compared to integrated laser simulations along with experimental measurements.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2020

Non-uniform longitudinal current density induced power saturation in GaAs-based high power diode lasers

The output power of modern 975 nm GaAs-based broad area diode lasers is limited by increasing carrier and photon losses at high bias. Here, we use experiment and one-dimensional calculations on these devices to reveal that higher current densities (and hence higher local recombination rates and higher losses) arise near the front facet due to spatial hole burning and that the non-uniformity is strongly affected by laser geometry, which is more severe for longer resonators and less severe for higher front facet reflectivity. Specifically, we use devices with a segmented p-contact to directly measure the current distribution along the resonator and compare this with laser simulation. Devices with a 6 mm resonator show 29% more current at the front than back, twice as large as the 15% current non-uniformity in devices with a 3 mm resonator. In contrast, increased front facet reflectivity (20% rather than 0.8%) is shown to almost halve the current non-uniformity from 29% to 18% in devices with a 6 mm resonator and reduces power saturation. Although the magnitude of current non-uniformity in experiment and theory is broadly consistent, in experiment, an additional divergence is seen in current flow (and hence recombination rate) near the facets, and earlier power saturation occurs. Finally, we discuss the possible saturation mechanisms that are not included in the simulation.

47 OTHER INSTRUMENTATION↗