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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Nanoscale reshaping of resonant dielectric microstructures by light-driven explosions

Femtosecond-laser-assisted material restructuring employs extreme optical intensities to localize the ablation regions. To overcome the minimum feature size limit set by the wave nature of photons, there is a need for new approaches to tailored material processing at the nanoscale. Here, we report the formation of deeply-subwavelength features in silicon, enabled by localized laser-induced phase explosions in prefabricated silicon resonators. Using short trains of mid-infrared laser pulses, we demonstrate the controllable formation of high aspect ratio (>10:1) nanotrenches as narrow as ~ $λ / 80$. The trench geometry is shown to be scalable with wavelength, and controlled by multiple parameters of the laser pulse train, such as the intensity and polarization of each laser pulse and their total number. Particle-in-cell simulations reveal localized heating of silicon beyond its boiling point and suggest its subsequent phase explosion on the nanoscale commensurate with the experimental data. The observed femtosecond-laser assisted nanostructuring of engineered microstructures (FLANEM) expands the nanofabrication toolbox and opens exciting opportunities for high-throughput optical methods of nanoscale structuring of solid materials.

42 ENGINEERING↗
DOE OSTI2026

Generative modeling enables molecular structure retrieval from Coulomb explosion imaging

Capturing the structural changes that molecules undergo during chemical reactions in real space and time is a long-standing dream and an essential prerequisite for understanding and ultimately controlling femtochemistry. A key approach to tackle this challenging task is Coulomb explosion imaging, which benefited decisively from recently emerging high-repetition-rate X-ray free-electron laser sources. With this technique, information on the molecular structure is inferred from the momentum distributions of the ions produced by the rapid Coulomb explosion of molecules. Retrieving molecular structures from these distributions poses a highly non-linear inverse problem that remains unsolved for molecules consisting of more than a few atoms. Here, we address this challenge using a diffusion-based Transformer neural network. We show that the network reconstructs unknown molecular geometries from ion-momentum distributions with a mean absolute error below one Bohr radius, which is half the length of a typical chemical bond.

Artificial Intelligence (cs.AI)↗
DOE OSTI2023

X-ray induced Coulomb explosion imaging of transient excited-state structural rearrangements in CS2

Abstract Structural imaging of transient excited-state species is a key goal of molecular physics, promising to unveil rich information about the dynamics underpinning photochemical transformations. However, separating the electronic and nuclear contributions to the spectroscopic observables is challenging, and typically requires the application of high-level theory. Here, we employ site-selective ionisation via ultrashort soft X-ray pulses and time-resolved Coulomb explosion imaging to interrogate structural dynamics of the ultraviolet photochemistry of carbon disulfide. This prototypical system exhibits the complex motifs of polyatomic photochemistry, including strong non-adiabatic couplings, vibrational mode couplings, and intersystem crossing. Immediately following photoexcitation, we observe Coulomb explosion signatures of highly bent and stretched excited-state geometries involved in the photodissociation. Aided by a model to interpret such changes, we build a comprehensive picture of the photoinduced nuclear dynamics that follows initial bending and stretching motions, as the reaction proceeds towards photodissociation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Delayed signatures of underground nuclear explosions

Radionuclide signals from underground nuclear explosions (UNEs) are strongly influenced by the surrounding hydrogeologic regime. One effect of containment is delay of detonation-produced radioxenon reaching the surface as well as lengthening of its period of detectability compared to uncontained explosions. Using a field-scale tracer experiment, we evaluate important transport properties of a former UNE site. Here, we observe the character of signals at the surface due to the migration of gases from the post-detonation chimney under realistic transport conditions. Background radon signals are found to be highly responsive to cavity pressurization suggesting that large local radon anomalies may be an indicator of a clandestine UNE. Computer simulations, using transport properties obtained from the experiment, track radioxenon isotopes in the chimney and their migration to the surface. They show that the chimney surrounded by a fractured containment regime behaves as a leaky chemical reactor regarding its effect on isotopic evolution introducing a dependence on nuclear yield not previously considered. This evolutionary model for radioxenon isotopes is validated by atmospheric observations of radioxenon from a 2013 UNE in the Democratic People’s Republic of Korea (DPRK). In conclusion, our model produces results similar to isotopic observations with nuclear yields being comparable to seismic estimates.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2016

Identification of absolute geometries of cis and trans molecular isomers by Coulomb Explosion Imaging

An experimental route to identify and separate geometric isomers by means of coincident Coulomb explosion imaging is presented, allowing isomer-resolved photoionization studies on isomerically mixed samples. We demonstrate the technique on cis/trans 1,2-dibromoethene (C 2 H 2 Br 2 ). The momentum correlation between the bromine ions in a three-body fragmentation process induced by bromine 3d inner-shell photoionization is used to identify the cis and trans structures of the isomers. Lastly, the experimentally determined momentum correlations and the isomer-resolved fragment-ion kinetic energies are matched closely by a classical Coulomb explosion model.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2012

Collision induced dissociation of doubly-charged ions: Coulomb explosion vs. neutral loss in [Ca(urea)]{sup 2+} gas phase unimolecular reactivity via chemical dynamics simulations

In this paper we report different theoretical approaches to study the gas-phase unimolecular dissociation of the doubly-charged cation [Ca(urea)]{sup 2+}, in order to rationalize recent experimental findings. Quantum mechanical plus molecular mechanical (QM/MM) direct chemical dynamics simulations were used to investigate collision induced dissociation (CID) and rotational-vibrational energy transfer for Ar{sup +} [Ca(urea)]{sup 2+} collisions. For the picosecond time-domain of the simulations, both neutral loss and Coulomb explosion reactions were found and the differences in their mechanisms elucidated. The loss of neutral urea subsequent to collision with Ar occurs via a shattering mechanism, while the formation of two singly-charged cations follows statistical (or almost statistical) dynamics. Vibrational-rotational energy transfer efficiencies obtained for trajectories that do not dissociate during the trajectory integration were used in conjunction with RRKM rate constants to approximate dissociation pathways assuming complete intramolecular vibrational energy redistribution (IVR) and statistical dynamics. This statistical limit predicts, as expected, that at long time the most stable species on the potential energy surface (PES) dominate. These results, coupled with experimental CID from which both neutral loss and Coulomb explosion products were obtained, show that the gas phase dissociation of this ion occurs by multiple mechanisms leading to different products and that reactivity on the complicated PES is dynamically complex. (authors)

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2024

Thermonuclear 28 P(p, γ ) 29 S reaction rate and astrophysical implication in ONe nova explosion

An accurate 28 P(p, γ) 29 S reaction rate is crucial to defining the nucleosynthesis products of explosive hydrogen burning in ONe novae. Using the recently released nuclear mass of 29 S, together with a shell model and a direct capture calculation, we reanalyzed the 28 P(p, γ) 29 S thermonuclear reaction rate and its astrophysical implication. We focus on improving the astrophysical rate for 28 P(p, γ) 29 S based on the newest nuclear mass data. Our goal is to explore the impact of the new rate and associated uncertainties on the nova nucleosynthesis. We evaluated this reaction rate via the sum of the isolated resonance contribution instead of the previously used Hauser-Feshbach statistical model. The corresponding rate uncertainty at different energies was derived using a Monte Carlo method. Nova nucleosynthesis is computed with the 1D hydrodynamic code SHIVA. The contribution from the capture on the first excited state at 105.64 keV in 28 P is taken into account for the first time. We find that the capture rate on the first excited state in 28 P is up to more than 12 times larger than the ground-state capture rate in the temperature region of 2.5 × 10 7 K to 4 × 10 8 K, resulting in the total 28 P(p, γ) 29 S reaction rate being enhanced by a factor of up to 1.4 at ~1 × 10 9 K. In addition, the rate uncertainty has been quantified for the first time. It is found that the new rate is smaller than the previous statistical model rates, but it still agrees with them within uncertainties for nova temperatures. The statistical model appears to be roughly valid for the rate estimation of this reaction in the nova nucleosynthesis scenario. Using the 1D hydrodynamic code SHIVA, we performed the nucleosynthesis calculations in a nova explosion to investigate the impact of the new rates of 28 P(p, γ) 29 S. Our calculations show that the nova abundance pattern is only marginally affected if we use our new rates with respect to the same simulations but statistical model rates. Finally, the isotopes whose abundance is most influenced by the present 28 P(p, γ) 29 S uncertainty are 28 Si, 33,34 S, 35,37 Cl, and 36 Ar, with relative abundance changes at the level of only 3% to 4%.

Astronomy & Astrophysics↗
DOE OSTI2011

Evaluation of electrical conductivity and equations of state of non-ideal plasma through microsecond timescale underwater electrical wire explosion

Experimental and simulation results of underwater electrical Cu, Al, and W wire explosions in the microsecond timescale are presented. It was shown that the electrical conductivity results for Cu and Al agree well with modified Lee-More and quantum molecular dynamic models for temperatures above 10 kK. The equation of state (EOS) values based on SESAME tables for Cu and Al were slightly modified for intermediate temperatures in order to obtain fitting between experimental and simulated exploding wire radial expansion. Also, it was shown that the electrical conductivity results and the EOS evaluation differ significantly from the results obtained in nanosecond timescale experiments. Finally, it was found that underwater electrical W wire explosion is characterized by the appearance of non-uniformities along the z-axis of the wire. This phenomena adds uncertainty to the possibility of applying this type of experiments for evaluation of the electrical conductivity and EOS of W.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2011

Role of the pressure force in the explosive dynamics of magnetic islands in double tearing modes

The evolution of magnetic islands at two resonant surfaces during the development of a global tearing mode is investigated via numerical simulations of a reduced set of magneto-hydrodynamic equations in slab plasmas. The explosive dynamics of the islands resulting in an interchange follows a Rutherford-like regime, also referred to as a weakly coupled double tearing mode. It is found that the latent mechanism of this dynamics is the reduction of the total pressure around the opposite X-point and the abrupt growth is associated with an imbalance of the pressure around the islands. Once this imbalance is well established, each plasmoid is pushed to the opposite X-point, increasing the drive for the field merging. A feedback loop then takes place as the reconnection itself decreases the strength of the magnetic field between the tearing layers, i.e., reinforces the pressure imbalance. This loop accelerates reconnection, thus leading to the observed explosive growth.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Influence of a strong laser field on Coulomb explosion and stopping power of energetic H{sub 3}{sup +} clusters in plasmas

The influence of a high-intensity laser field on the Coulomb explosion and stopping power for a swift H{sub 3}{sup +} cluster ion in a plasma target is studied by means of the molecular dynamic (MD) method based on the linearized Vlasov-Poisson theory. Excitations of the plasma are described by the classical plasma dielectric function. In the presence of the laser field, the general expressions for the induced potential in the target and the interaction force among the ions within the cluster are derived. Based on the numerical solution of the equations of motion for the constituent ions, the Coulomb explosion patterns and the cluster's stopping power are discussed for a range of laser parameters. Numerical results show that the laser field affects the correlation between the ions and contributes to weaken the wake effect and the stopping power as compared to the laser-free case. On the other hand, the stopping power ratio of H{sub 3}{sup +} cluster is higher than the situation of dicluster of H{sub 2}{sup +} due to the vicinage effect in the cluster.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Large quantity ion beam generation by persistent Coulomb explosion in a near-critical density plasma channel

The mechanism of Coulomb explosion induced by the interactions of ultra-intense laser pulses with near-critical density plasmas was investigated using 2.5D particle-in-cell simulations. While the Coulomb explosion occurred continuously during pulse propagation inside the plasma, a large quantity of charge was generated and acquired in the backward direction. The accelerated ion beam had a peak energy of several tens of MeV, and the maximum energy was over hundreds MeV. A theoretical model has been proposed to estimate the total acquired charge quantity, the maximum ion energy, and their dependence on the initial plasma density.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Generation of extreme state of water by spherical wire array underwater electrical explosion

The results of the first experiments on the underwater electrical explosion of a spherical wire array generating a converging strong shock wave are reported. Using a moderate pulse power generator with a stored energy of {<=}6 kJ and discharge current of {<=}500 kA with a rise-time of {approx}300 ns, explosions of Cu and Al wire arrays of different diameters and with a different number and diameter of wires were tested. Electrical, optical, and destruction diagnostics were used to determine the energy deposited into the array, the time-of-flight of the shock wave to the origin of the implosion, and the parameters of water at that location. The experimental and numerical simulation results indicate that the convergence of the shock wave leads to the formation of an extreme state of water in the vicinity of the implosion origin that is characterized by pressure, temperature, and compression factors of (2 {+-} 0.2) Multiplication-Sign 10{sup 12} Pa, 8 {+-} 0.5 eV, and 7 {+-} 0.5, respectively.

42 ENGINEERING↗
DOE OSTI2013

Peculiarity of convergence of shock wave generated by underwater electrical explosion of ring-shaped wire

Nanosecond timescale underwater electrical wire explosions of ring-shaped Cu wires were investigated using a pulsed generator with a current amplitude up to 50 kA. It was shown that this type of wire explosion results in the generation of a toroidal shock wave (SW). Time- and space-resolved optical diagnostics were used to determine azimuthal uniformity of the shock wave front and its velocity. It was found that the shock wave preserves its circular front shape in the range of radii 50μm<r<5 mm. At r≤15μm, azimuthal irregularities of the SW front were obtained indicating the appearance of azimuthal instability. A surprising finding is that the shock wave propagates with a constant velocity of v{sub sw}=1.2M, where M is the Mach number. The dynamics of the leading part of the shock wave, based on the oblique shock wave theory, is presented, explaining the constant velocity of the shock wave.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Skin explosion of double-layer conductors in fast-rising high magnetic fields

An experiment has been performed to study the electrical explosion of thick cylindrical conductors using the MIG pulsed power generator capable of producing a peak current of 2.5 MA within 100 ns rise time. The experimental goal was to compare the skin explosion of a solid conductor with that of a double-layer conductor whose outer layer had a lower conductivity than the inner one. It has been shown that in magnetic fields of peak induction up to 300 T and average induction rise rate 3 × 10{sup 9} T/s, the double-layer structure of a conductor makes it possible to achieve higher magnetic induction at the conductor surface before it explodes. This can be accounted for, in particular, by the reduction of the ratio of the Joule heat density to the energy density of the magnetic field at the surface of a double-layer conductor due to redistribution of the current density over the conductor cross section.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Development of graphene nanoplatelet embedded polymer microcantilever for vapour phase explosive detection applications

In this work, a graphene based strain sensor has been reported for explosive vapour detection applications by exploiting the piezoresistive property of graphene. Instead of silicon based cantilevers, a low cost polymeric micro-cantilever platform has been used to fabricate this strain sensor by embedding the graphene nanoplatelet layer inside the beam. The fabricated devices were characterized for their mechanical and electromechanical behaviour. This device shows a very high gauge factor which is around ~144. Also the resonant frequency of these cantilevers is high enough such that the measurements are not affected by environmental noise. These devices have been used in this work for reliable detection of explosive vapours such as 2,4,6-Trinitrotoluene down to parts-per-billion concentrations in ambient conditions.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Formation of 2D nanoparticles with block structure in simultaneous electric explosion of conductors

A molecular dynamics simulation of nanoparticle formation in simultaneous electric explosion of conductors is performed. Interatomic interaction is described using potentials calculated in the framework of the embedded atom method. High-rate heating results in failure of the conductors with the formation of nanoparticles. The influence of the heating rate, temperature distribution over the specimen cross-section and the distance between simultaneously exploded conductors on the structure of formed nanoparticles is studied. The calculation results show that the electric explosion of conductors allows the formation of nanoparticles with block structure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Explosive boiling of a metallic glass superheated by nanosecond pulse laser ablation

We report an explosive boiling in a Zr-based (Vitreloy 1) bulk metallic glass irradiated by a nanosecond pulse laser with a single shot. This critical phenomenon is accompanied by the ejection of high-temperature matter from the target and the formation of a liquid-gas spinodal pattern on the irradiated area. An analytical model reveals that the glassy target experiences the normal heating (melting) and significant superheating, eventually culminating in explosive boiling near the spinodal limit. Furthermore, the time lag of nucleation and the critical radius of vapor bubbles are theoretically predicted, which are in agreement with the experimental observations. This study provides the investigation on the instability of a metallic glass liquid near the thermodynamic critical temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

The role of electro-explosion alloying with titanium diboride and treatment with pulsed electron beam in the surface modification of VT6 alloy

The paper presents the results of the investigation of VT6 titanium alloy subjected to electro-explosion alloying with TiB{sub 2} and irradiation with pulsed electron beam. It was established that electro-explosion alloying resulted in a high level of roughness of the surface layer with high adhesion of the modified layer and matrix. Further irradiation of the material with electron beam resulted in the smoothing of the surface of alloying and formation of a porous structure with various scale levels in the surface layer. It was also established that the energetic exposure causes the formation of a gradient structure with a changing elemental composition along the direction from the surface of alloying.

36 MATERIALS SCIENCE↗