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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Thermal coupled cluster theory for SU(2) systems

Coupled cluster (CC) has established itself as a powerful theory to study correlated quantum many-body systems. Finite-temperature generalizations of CC theory have attracted considerable interest and have been shown to work as nicely as the ground-state theory. However, most of these recent developments address only fermionic or bosonic systems. The distinct structure of the su(2) algebra requires the development of a similar thermal CC theory for spin degrees of freedom. In this paper, we provide a formulation of our thermofield-inspired thermal CC for SU(2) systems. Here, we apply the thermal CC to the Lipkin-Meshkov-Glick system as well as the one-dimensional transverse field Ising model as benchmark applications to highlight the accuracy of thermal CC in the study of finite-temperature phase diagrams in SU(2) systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Lipkin model on a quantum computer

Atomic nuclei are important laboratories for exploring and testing new insights into the universe, such as experiments to directly detect dark matter or explore properties of neutrinos. The targets of interest are often heavy, complex nuclei that challenge our ability to reliably model them (as well as quantify the uncertainty of those models) with classical computers. Hence there is great interest in applying quantum computation to nuclear structure for these applications. As an early step in this direction, especially with regards to the uncertainties in the relevant quantum calculations, we develop circuits to implement variational quantum eigensolver (VQE) algorithms for the Lipkin-Meshkov-Glick model, which is often used in the nuclear physics community as a testbed for many-body methods. Here, we present quantum circuits for VQE for two and three particles and discuss the construction of circuits for more particles. Implementing the VQE for a two-particle system on the IBM Quantum Experience, we identify initialization and two-qubit gates as the largest sources of error. We find that error mitigation procedures reduce the errors in the results significantly, but additional quantum hardware improvements are needed for quantum calculations to be sufficiently accurate to be competitive with the best current classical methods.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Solving nuclear structure problems with the adaptive variational quantum algorithm

Here we use the Lipkin-Meshkov-Glick (LMG) model and the valence-space nuclear shell model to examine the likely performance of variational quantum eigensolvers in nuclear-structure theory. The LMG model exhibits both a phase transition and spontaneous symmetry breaking at the mean-field level in one of the phases, features that characterize collective dynamics in medium-mass and heavy nuclei. We show that with appropriate modifications, the ADAPT-VQE algorithm, a particularly flexible and accurate variational approach, is not troubled by these complications. We treat up to 12 particles and show that the number of quantum operations needed to approach the ground-state energy scales linearly with the number of qubits. We find similar scaling when the algorithm is applied to the nuclear shell model with realistic interactions in the sd and pf shells. Although most of these simulations contain no noise, we use a noise model from real IBM hardware to show that for the LMG model with four particles, weak noise has no effect on the efficiency of the algorithm.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

In-medium similarity renormalization group with flowing 3-body operators, and approximations thereof

Here, we explore the impact of retaining three-body operators within the in-medium similarity renormalization group (IMSRG), as well as various approximations schemes. After studying two toy problems, identical fermions with a contact interaction and the Lipkin-Meshkov-Glick model, we employ the valence-space formulation of the IMSRG to investigate the even- A carbon isotopes with a chiral two-body potential. We find that retaining only those commutators expressions that scale as N 7 provides an excellent approximation of the full three-body treatment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Vanishing dynamic strength measured in a transient high-pressure phase of tin

This work reports two independent experimental estimations of the dynamic strength of the body-centered tetragonal (bct) 𝛾 phase of tin, which occurs at pressures above about 9 GPa and transforms promptly back to the ambient 𝛽 phase upon pressure release. Measuring strength in such a transient high-pressure phase is challenging. One measurement used free-surface Richtmyer-Meshkov instabilities generated with gas gun impact. Another set of measurements used ramp-release loading in a pulsed-power facility. Strength estimations came from comparison to simulations using a comprehensive multiphase modeling framework that includes equation of state, shear moduli, and strength separately for each phase, and treats mixed-phase regions. Both experimental methods found the 𝛾-phase strength to be very low, within experimental uncertainty of zero. The existing literature on other materials, by contrast, almost universally reports higher strength in transient high-pressure phases compared with ambient phases. Recent Molecular-Dynamics simulations on tin in the literature showed almost zero deviatoric strength during a deformation-induced bct → bct transformation in which one of the 𝛾-phase 𝑎 axes “flips” to the 𝑐 axis. This reorientation currently provides the most plausible explanation for the low observed strength in 𝛾-phase tin.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Onset of Rayleigh-Bénard convection at fuel-ablator interfaces in inertial confinement fusion simulations

Here, we demonstrate the onset of Rayleigh-Bénard convection (RBC) near the fuel-ablator interface of inertial confinement fusion (ICF) implosion simulations for the scenario in which Rayleigh-Taylor or Richtmyer-Meshkov instabilities are suppressed. This convective heating within the cold fuel can degrade the adiabat and therefore performance of ICF implosions even without mixing of fuel and ablator. Our work suggests additional considerations to realize design adiabats in otherwise ideal ICF implosions: first, via control of the temperature differences between ablator and fuel and, second, control of the fuel acceleration which we show has a complex interplay with the RBC dynamics.

Physics - Plasma physics↗
DOE OSTI2024

Instabilities and Mixing in Inertial Confinement Fusion

By imploding fuel of hydrogen isotopes, inertial confinement fusion (ICF) aims to create conditions that mimic those in the Sun's core. This is fluid dynamics in an extreme regime, with the ultimate goal of making nuclear fusion a viable clean energy source. The fuel must be reliably and symmetrically compressed to temperatures exceeding 100 million degrees Celsius. After the best part of a century of research, the foremost fusion milestone was reached in 2021, when ICF became the first technology to achieve an igniting fusion fuel (thermonuclear instability), and then in 2022 scientific energy breakeven was attained. A key trade-off of the ICF platform is that greater fuel compression leads to higher burn efficiency, but at the expense of amplified Rayleigh–Taylor and Richtmyer–Meshkov instabilities and kinetic-energy-wasting asymmetries. In extreme cases, these three-dimensional instabilities can completely break up the implosion. Even in the highest-yielding 2022 scientific breakeven experiment, high-atomic-number (high-Z) contaminants were unintentionally injected into the fuel. Here we review the pivotal role that fluid dynamics plays in the construction of a stable implosion and the decades of improved understanding and isolated experiments that have contributed to fusion ignition.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Fresnel zone plate development for x-ray radiography of hydrodynamic instabilities at the National Ignition Facility

The study of Rayleigh–Taylor (RT) and Richtmyer–Meshkov (RM) instabilities in a planar geometry at high energy densities at the National Ignition Facility (NIF) requires high spatial resolution imaging. We demonstrate the potential of Fresnel zone plates (FZPs) to achieve resolution that would unlock such studies. FZPs are circular aperiodic gratings that use diffraction to focus x rays and produce an image with high spatial resolution. Taking into account the NIF’s challenging environment, we have designed a specific array of five FZPs for a zinc backlighter to take a radiograph of a target with 9 keV x rays. We measured a mean resolution for the FZP of 1.9µm±0.5µm and a ±1mm depth of focus at an x-ray calibration facility as well as a 2.3µm±0.4µm resolution on a resolution wire mesh shot on the NIF. We also performed an in-depth analysis of the image quality to assess the capability to resolve the small features present in RT and RM instabilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Jetting Response in Architected Structures

Architected structures are gaining prominence for structural applications as the additive manufacturing technologies that can enable such materials mature. With the expanded design space, such mesoscopic structures occupy the middle ground between random foams and bulk materials. Studies into the deformation response of such structures are limited, particularly under dynamic compression. Early studies indicate the presence of an elastic precursor wave running ahead of the compaction wave. Additional studies also have shown that jetting is known to occur under shock loading conditions due to the presence of geometric perturbations introduced in the long-range periodic structures. Given that starting point, the motivation for this research was to understand the origin of the observed jetting and extend our understanding of how this comes about across a broad spectrum of lattice types, material compositions, length scales, and dynamic loading conditions. The jetting behavior due to lattice structures was studied through a series of dynamic compression plate impact experiments with in-situ x-ray imaging. This work was enabled by the NNSA-funded Dynamic Compression Sector at the Advanced Photon Source, which is housed at Argonne National Laboratory. Prior studies, and also evident in this work, have shown that deformation mechanisms in architected structures are difficult to study using our traditional diagnostics, and the role of in situ observations in this regard cannot be overstated. The role of the impact conditions, the lattice spacing, the lattice architecture, and the lattice base material was explored in the context of promoting or suppressing jet formation. A transition from latticeled to impactor-led jetting is observed above a certain impact threshold. Complementary direct numerical simulations (DNS) were also performed to compare with the experiments, study the underlying stress state giving rise to jetting, and provide insight for conditions not studied experimentally. Such simulations suggest certain trends for promoting or suppressing jetting akin to traditional Richtmyer-Meshkov instability studies. We present a geometric argument to explain the competitive process leading to lattice and/or impactor jetting which incorporates base material properties, the periodicity of the lattice, and basic tunable length scales of the lattice. Our results are consistent with previous observations on such lattices. Expanding on that work, the emergence of a transition of the jet material composition must depends solely on the base material properties and the geometric arrangement of the lattice structure. The fact that we have obtained reasonable qualitative and quantitative agreement regarding the jet formation and propagation behavior leads us to trust the underlying materials models. We can speculate that this and potentially other emergent phenomena might also be possible from a unique combination of base material properties and geometric arrangement of lattice structures. While the transition from polymer-led to flyer-led jetting might seem counterintuitive at first, it is a natural extension of the impact conditions and the arrangement of the materials. Better understanding of how the base material properties are coupled to the lattice structure to give rise to such phenomena will likely improve design for such structures under dynamic compression conditions. As such, the direct numerical simulations provide a pathway to design of architectures in future applications.

36 MATERIALS SCIENCE↗
DOE OSTI2020

FICH: Feature instability cavitation history [Slides]

We seek to improve our ability to predict and understand the Richtmyer-Meshkov (RM) unstable dynamics of explosively shocked isolated features interfaced with vacuum or gases, and an HE products cavity. Explosively shocked features form as 2D or 3D RM phenomena. Liquid cavitation cause cavitation bubbles when shockwaves collide, and cavitation waves from wave interactions with isolated features form that source mass into the RM unstable sheets or spikes, and the cavitation waves may slice through bulk material into the HE products cavity.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2019

Strength of porous α-SiO 2 in a shock loaded environment

The strength of brittle porous media is of concern in numerous applications, for example, earth penetration, crater formation, and blast loading; thus it is of importance to possess techniques that allow for constitutive model calibration within the laboratory setting. It is the goal of the immediate work to demonstrate an experimental technique allowing for strength assessment, which can be implemented into pressure dependent yield surfaces within numerical simulation schemes. As a case study, the deviatoric strength of distended α-SiO 2 has been captured in a tamped Richtmyer- Meshkov instability environment at a pressure regime of 4-10 GPa. In contrast to traditional RMI studies used to infer strength in solids, the described approach herein is implemented to probe the behavior of the porous tamp media backing the corrugated solid surface. Hydrocode simulation has been used to interpret the experiment, and a resulting pressure-dependent yield surface akin to the often employed Modified Drucker-Prager model has been calibrated via the coupled experiment and simulation. The simulations indicate that the resulting jet length generated by the RMI is highly sensitive to the porous media strength, thereby providing a feasible experimental platform capable of capturing pressurized granular deviatoric response. Additionally, a Mach lens loading environment has also been implemented as a validation case study, demonstrating good agreement between experiment and simulation within an alternative loading environment. Calibration and validation of the pressure-dependent yield surface gives confidence to the model form, thereby providing a framework for future porous media strength studies.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The tracer-BHR4 model for subgrid mixing layers

A model for the passive evolution of turbulent subgrid-scale mixing layers is developed based on the model of tracer-BHR model of Braun & Gore. The new model, tracer-BHR4, mainly differs from the previous iteration in that it aims to replicate the behavior of BHR4, instead of BHR3.1. The coefficients from BHR4 are used and a new model for mixing layer growth is developed to allow the tracer model to reproduce the de-mixing behavior seen in BHR4. Additionally, an improved timestep size controller is introduced. The new model is tested on problems containing Rayleigh-Taylor or Richtmyer-Meshkov mixing layers, and is able to reproduce the behavior of well resolved BHR4 simulations with reasonable accuracy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Half-hard copper PTW model parameters for plastic deformation calibrated to strain rates from 10 −3 -10 7 /s

This document demonstrates a calibration of the Preston-Tonks-Wallace (PTW) model of plastic deformation that fairly accurately reproduces the flow stress of half-hard copper across strain rates varying by a factor of more than ten billion. The experiments included are quasistatic compression at low rates, Split Hopkinson Pressure Bar (SHPB) compression at intermediate rates, and arrested Richtmyer-Meshkov instability (RMI) growth at high strain rates. The temperatures vary from liquid nitrogen (77 K) to around 500 K. The largest true strains obtained are approximately 0.5. It would be interesting to compare the results to copper deformation data at higher pressures and higher strains.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Project DarkStar: Vision for LLNL in 2030

DarkStar was a Strategic Initiative (FY2021-FY2024) to investigate applications of Artificial Intelligence (AI) and Machine Learning (ML) to scientific problems of complex hydrodynamics, shockwave physics and energetic materials. The research focused on physics and engineering design as a process that can be tremendously accelerated through merging AI with advanced physics simulation on exascale-class platforms, and to experimentally validate this revolutionary new approach through dynamic materials campaigns. A central thread of scientific inquiry was in the application of AI to enable human understanding of how to control hydrodynamic instability (which has impacts to areas such as inertial confinement fusion) via engineering features and time-dependent sources. Motivated by an unfinished line of research started by Dr. Johnny von Neumann, AI-enabled simulation approaches were developed that allowed DarkStar researchers to uncover several ground-breaking discoveries regarding hydrodynamic instability, including how to completely suppress Richtmyer-Meshkov instability (RMI). These S&T discoveries, along with other advances, have shown the way for an entirely new approach to time-dependent problems known as inverse design – the idea that complex systems can be developed directly from a final state that is to be achieved and resolve the initial design via satisfying several constraints simultaneously via AI/ML. Through experimental campaigns conducted across a wide range of facilities in the NNSA complex (the High Explosive Application Facility at LLNL, the Dynamic Compression Sector/Advanced Photon Source at Argonne National Lab, and Special Technologies Laboratory at MSTS) the radical new AI/ML approach to engineering complex material dynamics was verified, establishing a new field of study within the realm of shock physics. As advanced manufacturing capabilities continue to develop, the great importance of inverse design as a means to apply that technology effectively for NNSA missions will feature prominently over this decade. DarkStar has positioned NNSA as a world-leader in this newly emerging cross-disciplinary area of AI methods for advanced physics simulation and pioneered multiple novel approaches that have enabled the broader scientific community. By allowing us to see past the horizon, to 2030 and beyond, DarkStar has illuminated the vast potential of AI/ML to impact a wide range of new national security missions and, consequently, multiple areas of further research have already emerged across the NNSA and DOD complex.

42 ENGINEERING↗
DOE OSTI2024

A theoretical/computational framework to measure SiO2 and MgO viscosity at high pressure

The convection of the mantle of Earth and super-Earths is important for many terrestrial phenomena, from plate tectonics to outgassing. Rheological properties, such as viscosity, regulate the transport of thermal energy and mass. However, the viscosity of mantle-relevant materials, such as MgO, at relevant pressures (>120 GPa) are not well constrained. The objective of this work was to develop a computational platform to simulate novel experiments aiming to measure the viscosity of MgO at high pressures. Experiments performed by our collaborators at Johns Hopkins University and Lawrence Livermore National Laboratory use the OMEGA EP laser facility to shock a corrugated MgO interface to 170 GPa, with resulting velocity evolution governed by the viscous Richtmyer-Meshkov instability. We used an in-house hydrocode to simulate this process and thus provide a bound on viscosity by comparing our simulations results to these experiments, as well as to examine the physical processes at play. We simulated the experiments with different values of MgO viscosity (from inviscid to 10,000 Pa∙s) while taking into account the unsteady laser pulse, the material's equation of state, and the rate-dependent constitutive relation for MgO, and the materials' equations of state. Our results suggest that MgO at these conditions has a viscosity within an order of magnitude of 5000 Pa∙s.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

The Role of Helium on Ejecta Production in Copper

The effect of helium (He) concentration on ejecta production in OFHC-Copper was investigated using Richtmyer–Meshkov Instability (RMI) experiments. The experiments involved complex samples with periodic surface perturbations machined onto the surface. Each of the four target was implanted with a unique helium concentration that varied from 0 to 4000 appm. The perturbation’s wavelengths were λ ≈ 65 μ m, and their amplitudes h 0 were varied to determine the wavenumber ( 2 π / λ ) amplitude product k h 0 at which ejecta production beganfor Cu with and without He. The velocity and mass of the ejecta produced was quantified using Photon Doppler Velocimetry (PDV) and Lithium-Niobate (LN) pins, respectively. Our results show that there was an increase of 30% in the velocity at which the ejecta cloud was traveling in Copper with 4000 appm as compared to its unimplanted counterpart. Our work also shows that there was a finer cloud of ejecta particles that was not detected by the PDV probes but was detected by the early arrival of a “signal” at the LN pins. While the LN pins were not able to successfully quantify the mass produced due to it being in the solid state, they did provide information on timing. Our results show that ejecta was produced for a longer time in the 4000 appm copper.

36 MATERIALS SCIENCE↗