arXiv subjects

Saransh Singh

Publications and source records attributed to Saransh Singh.

9 recordsLinked to original sources

arXiv2026

High pressure melt dynamics in shock-compressed titanium

We study the high-pressure melting behavior of titanium using laser-driven shock compression with in situ femtosecond x-ray diffraction and molecular-dynamics simulations based on a machine-learned interatomic potential. The MD simulations predict the solid-liquid coexistence on the Hugoniot in the $\sim$$111-124$ GPa range. Experimentally, we observe the first evidence of liquid at 86 GPa. We also observe pronounced microstructural changes with pressure with strong grain refinement associated with the emergence of liquid, within the solid-liquid coexistence ($\sim$$110-126$ GPa). Above 126 GPa, we observe the persistence of residual levels of highly textured crystalline Ti to $\sim$$180$ GPa, well above the expected melt completion pressure. We discuss the accuracy that current laser-shock experimental platforms have at determining the melt onset and completion pressures.

cond-mat.mtrl-sci↗

arXiv2023

Measurement of competing pathways in a shock-induced phase transition in zirconium by femtosecond diffraction

The traditional picture of solid-solid phase transformations assumes an ordered parent phase transforms into an ordered daughter phase via a single unique pathway. Zirconium and its prototypical phase transition from hexagonal close-packed (hcp) to simple hexagonal (hex-3) structure has generated considerable controversy over several decades regarding which mechanism mediates the transformation. However, a lack of in situ measurements over the relevant atomistic timescales has hindered our ability to identify the true pathway. In this study, we exploit femtosecond X-ray diffraction coupled with nanosecond laser compression to give unprecedented insights into the complexities of how materials transform at the lattice level. We observe single-crystal zirconium changing from hcp to a hex-3 structure via not one but three competing pathways simultaneously. Concurrently, we also observe a broad diffuse background underlying the sharp Bragg diffraction during the transition. We corroborate our observation of the diffuse signal with multimillion-atom molecular dynamics simulations using a machine-learned interatomic potential. Our study demonstrates that the traditional mechanistic view of transitions may fail for even an elemental metal and that the mechanisms by which materials transform are far more intricate than generally thought.

cond-mat.mtrl-sci↗

arXiv2023

A structural study of hcp and liquid iron under shock compression up to 275 GPa

We combine nanosecond laser shock compression with \emph{in-situ} picosecond X-ray diffraction to provide structural data on iron up to 275 GPa. We constrain the extent of hcp-liquid coexistence, the onset of total melt, and the structure within the liquid phase. Our results indicate that iron, under shock compression, melts completely by 258(8) GPa. A coordination number analysis indicates that iron is a simple liquid at these pressure-temperature conditions. We also perform texture analysis between the ambient body-centered-cubic (bcc) $α$, and the hexagonal-closed-packed (hcp) high-pressure $ε-$phase. We rule out the Rong-Dunlop orientation relationship (OR) between the $α$ and $ε-$phases. However, we cannot distinguish between three other closely related ORs: Burger's, Mao-Bassett-Takahashi, and Potter's OR. The solid-liquid coexistence region is constrained from a melt onset pressure of 225(3) GPa from previously published sound speed measurements and full melt (246.5(1.8)-258(8) GPa) from X-ray diffraction measurements, with an associated maximum latent heat of melting of 623 J/g. This value is lower than recently reported theoretical estimates and suggests that the contribution to the earth's geodynamo energy budget from heat release due to freezing of the inner core is smaller than previously thought. Melt pressures for these nanosecond shock experiments are consistent with gas gun shock experiments that last for microseconds, indicating that the melt transition occurs rapidly.

cond-mat.mtrl-sci↗

arXiv2023

Physics-based basis functions for low-dimensional representation of the refractive index in the high energy limit

The relationship between the refractive index decrement, $δ$, and the real part of the atomic form factor, $f^\prime$, is used to derive a simple polynomial functional form for $δ(E)$ far from the K-edge of the element. The functional form, motivated by the underlying physics, follows an infinite power sum, with most of the energy dependence captured by a single term, $1/E^2$. The derived functional form shows excellent agreement with theoretical and experimentally recorded values. This work helps reduce the dimensionality of the refractive index across the energy range of x-ray radiation for efficient forward modeling and formulation of a well-posed inverse problem in propagation-based polychromatic phase-contrast computed tomography.

physics.class-ph↗

arXiv2023

X-ray Spectral Estimation using Dictionary Learning

As computational tools for X-ray computed tomography (CT) become more quantitatively accurate, knowledge of the source-detector spectral response is critical for quantitative system-independent reconstruction and material characterization capabilities. Directly measuring the spectral response of a CT system is hard, which motivates spectral estimation using transmission data obtained from a collection of known homogeneous objects. However, the associated inverse problem is ill-conditioned, making accurate estimation of the spectrum challenging, particularly in the absence of a close initial guess. In this paper, we describe a dictionary-based spectral estimation method that yields accurate results without the need for any initial estimate of the spectral response. Our method utilizes a MAP estimation framework that combines a physics-based forward model along with an $L_0$ sparsity constraint and a simplex constraint on the dictionary coefficients. Our method uses a greedy support selection method and a new pair-wise iterated coordinate descent method to compute the above estimate. We demonstrate that our dictionary-based method outperforms a state-of-the-art method as shown in a cross-validation experiment on four real datasets collected at beamline 8.3.2 of the Advanced Light Source (ALS).

eess.IV↗

arXiv2022

Development of slurry targets for high repetition-rate XFEL experiments

Combining an x-ray free electron laser (XFEL) with high power laser drivers enables the study of phase transitions, equation-of-state, grain growth, strength, and transformation pathways as a function of pressure to 100s GPa along different thermodynamic compression paths. Future high-repetition rate laser operation will enable data to be accumulated at >1 Hz which poses a number of experimental challenges including the need to rapidly replenish the target. Here, we present a combined shock-compression and X-ray diffraction study on vol% epoxy(50)-crystalline grains(50) (slurry) targets, which can be fashioned into extruded ribbons for high repetition-rate operation. For shock-loaded NaCl-slurry samples, we observe pressure, density and temperature states within the embedded NaCl grains consistent with observations for shock-compressed single-crystal NaCl.

hep-ex↗

arXiv2021

Quantitative analysis of diffraction by liquids using a pink-spectrum X-ray source

We describes a new approach for performing quantitative structure-factor analysis and density measurements of liquids using x-ray diffraction with a pink-spectrum x-ray source. The methodology corrects for the pink beam effect by performing a Taylor series expansion of the diffraction signal. The mean density, background scale factor, peak x-ray energy about which the expansion is performed, and the cutoff radius for density measurement are estimated using the derivative-free optimization scheme. The formalism is demonstrated for a simulated radial distribution function for tin. Finally, the proposed methodology is applied to experimental data on shock compressed tin recorded at the Dynamic Compression Sector at the Advanced Photon Source, with derived densities comparing favorably to other experimental results and the equations of state of tin.

physics.app-ph↗

arXiv2020

Influence of step structure on preferred orientation relationships of Ag deposited on Ni(111)

Previous studies have shown that the orientation relationships which develop in hetero-epitaxy are strongly influenced by the alignment of steps in the deposit with the pre-existing steps of the substrate. In this paper we use a combination of experiments with computer simulations to identify the important influence of substrate step structure on the eventual orientation relationships that develop in the deposit. We have made use of Ag deposited on Ni as it has been used extensively as a model system for the study of hetero-epitaxy. This system displays a large lattice mismatch of 16%. It is shown that on any surface vicinal to Ni(111), which has two possible kinds of <110> steps (A-steps with {100} ledges and B-steps with {111} ledges), a Ag deposit adopts a single orientation relationship because only A-steps remain stable in the presence of Ag.

cond-mat.mtrl-sci↗

arXiv2020

Detonation-induced transformation of graphite to hexagonal diamond

We explore the structural evolution of highly oriented pyrolytic graphite (HOPG) under detonation-induced shock conditions using in-situ synchrotron X-ray diffraction in the ns time scale. We observe the formation of hexagonal diamond (lonsdaleite) at pressures above 50 GPa, in qualitative agreement with recent gas gun experiments. First-principles density functional calculations reveal that under uniaxial compression the energy barrier for the transition towards hexagonal diamond is lower than cubic diamond. Finally, no indication of cubic diamond formation was observed up to >70 GPa.

cond-mat.mtrl-sci↗