Engineering topics

Kumar, Prabhat

Publications and source records attributed to Kumar, Prabhat.

16 records

DOE OSTI2024

Exascale-Enabled Models and Algorithms for Microelectronics Applications (MicroEleX) v1

The MicroEleX code package contains a variety of models and algorithms for physical modeling of microelectronic circuitry, including electrostatics, electrodynamics, superconducting physics, micromagnetics, multi-ferroic systems, and quantum transport. MicroEleX leverages the AMReX software framework to provide scalability on GPU-based supercomputing architectures. The code is open source and designed to be algorithmically flexible so developers can incorporate enhanced or customized physics.

Nonaka, Andy↗

DOE OSTI2024

3D Ferroelectric Phase Field Simulations of Polycrystalline Multi‐Phase Hafnia and Zirconia Based Ultra‐Thin Films

Abstract HfO 2 – and ZrO 2 –based ferroelectric thin films have emerged as promising candidates for the gate oxides of next‐generation electronic devices. Recent work has experimentally demonstrated that a tetragonal/orthorhombic (t/o‐) phase mixture with partially in‐plane polarization can lead to negative capacitance (NC) stabilization. However, there is a discrepancy between experiments and the theoretical understanding of domain formation and domain wall motion in these multi‐phase, polycrystalline materials. Furthermore, the effect of anisotropic domain wall coupling on NC has not been studied so far. Here, 3D phase field simulations of HfO 2 – and ZrO 2 –based mixed‐phase ultra‐thin films on silicon are applied to understand the necessary and beneficial conditions for NC stabilization. It is found that smaller ferroelectric grains and a larger angle of the polar axis with respect to the out‐of‐plane direction enhances the NC effect. Furthermore, it is shown that theoretically predicted negative domain wall coupling even along only one axis prevents NC stabilization. Therefore, it is concluded that topological domain walls play a critical role in experimentally observed NC phenomena in HfO 2 – and ZrO 2 –based ferroelectrics.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2022

Intense infrared lasers for strong-field science

The advent of chirped-pulse amplification in the 1980s and femtosecond Ti:sapphire lasers in the 1990s enabled transformative advances in intense laser–matter interaction physics. Whereas most of experiments have been conducted in the limited near-infrared range of 0.8–1 μm, theories predict that many physical phenomena such as high harmonic generation in gases favor long laser wavelengths in terms of extending the high-energy cutoff. Significant progress has been made in developing few-cycle, carrier-envelope phase-stabilized, high-peak-power lasers in the 1.6–2 μm range that has laid the foundation for attosecond X ray sources in the water window. Even longer wavelength lasers are becoming available that are suitable to study light filamentation, high harmonic generation, and laser–plasma interaction in the relativistic regime. Long-wavelength lasers are suitable for sub-bandgap strong-field excitation of a wide range of solid materials, including semiconductors. In the strong-field limit, bulk crystals also produce high-order harmonics. In this review, we first introduce several important wavelength scaling laws in strong-field physics, then describe recent breakthroughs in short- (1.4–3 μm), mid- (3–8 μm), and long-wave (8–15 μm) infrared laser technology, and finally provide examples of strong-field applications of these novel lasers. Furthermore, some of the broadband ultrafast infrared lasers will have profound effects on medicine, environmental protection, and national defense, because their wavelengths cover the water absorption band, the molecular fingerprint region, as well as the atmospheric infrared transparent window.

43 PARTICLE ACCELERATORS↗

DOE OSTI2022

Effects of the Wavelength of the Plasma Waves on Cross-Field Electron Transport in Partially Magnetized Plasmas

In this article, the effects of increasing plasma density on the cross-field electron transport driven by kinetic instabilities are investigated. A 2-D collisionless particle-in-cell (PIC) simulation is performed on cases with only singly charged ions and with a mixture of singly and doubly charged ions, at different levels of plasma density. It is observed using the PIC simulations that the level of plasma density affects the plasma waves that are driven by the microinstabilities, including the electron cyclotron drift instability (ECDI) and ion–ion two-stream instability (IITSI). Here, the simulation results suggest that the enhancement of cross-field electron transport is correlated with the excitation of smaller wavelength modes and the increased amplitude of the plasma waves.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2022

SPACE: 3D parallel solvers for Vlasov-Maxwell and Vlasov-Poisson equations for relativistic plasmas with atomic transformations

A parallel, relativistic, three-dimensional particle-in-cell code SPACE has been developed for the simulation of electromagnetic fields, relativistic particle beams, and plasmas. In addition to the standard second-order Particle-in-Cell (PIC) algorithm, SPACE includes efficient novel algorithms to resolve atomic physics processes such as multi-level ionization of plasma atoms, recombination, and electron attachment to dopants in dense neutral gases. SPACE also contains a highly adaptive particle-based method, called Adaptive Particle-in-Cloud (AP-Cloud), for solving the Vlasov-Poisson problems. It eliminates the traditional Cartesian mesh of PIC and replaces it with an adaptive octree data structure. The code's algorithms, structure, capabilities, parallelization strategy, and performance have been discussed. Additionally, typical examples of SPACE applications to accelerator science and engineering problems are described.

43 PARTICLE ACCELERATORS↗

DOE OSTI2022

Mutually guided light and particle beam propagation

The polarizability of atoms and molecules gives rise to optical forces that trap particles and a refractive index that guides light beams, potentially leading to a self-guided laser and particle beam propagation. In this paper, the mutual interactions between an expanding particle beam and a diffracting light beam are investigated using an axisymmetric particle-light coupled simulation. The nonlinear coupling between particles and photons is dependent on the particle beam radius, particle density, particle velocity and temperature, polarizability, light beam waist, light frequency (with respect to the resonance frequency), and light intensity. The computational results show that the maximum propagation distance is achieved when the waveguiding effect is optimized to single-mode operation. The application of the coupled beam propagation as a space propulsion system is discussed.

42 ENGINEERING↗

DOE OSTI2021

Evolution of the self-injection process in long wavelength infrared laser driven LWFA

In this work, long wavelength infrared laser-driven plasma wakefield accelerators are investigated in the self-modulated laser wakefield acceleration (SM-LWFA) and blowout regimes using 3D particle-in-cell simulations. The simulation results show that in the SM-LWFA regime, self-injection arises with wave breaking, whereas in the blowout regime, self-injection is not observed under the simulation conditions. The wave breaking process in the SM-LWFA regime occurs at a field strength that is significantly below the 1D wave-breaking threshold. This process intensifies at higher laser power and plasma density and is suppressed at low plasma densities (≤1×10 17 cm –3 here). The produced electrons show spatial modulations with a period matching that of the laser wavelength, which is a clear signature of direct laser acceleration.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

Simulation study of CO 2 laser-plasma interactions and self-modulated wakefield acceleration

3D numerical simulations of the interaction of a powerful CO 2 laser with hydrogen jets demonstrating the role of ionization on the characteristics of induced wakes are presented. Simulations using SPACE, a parallel relativistic Particle-in-Cell code, are performed in support of the plasma wakefield accelerator experiments being conducted at the Brookhaven National Laboratory (BNL) Accelerator Test Facility (ATF). A novelty of the SPACE code is its set of efficient atomic physics algorithms that compute ionization and recombination rates on the grid and transfer them to particles. The influence of ionization on the spectrum of pump laser has been studied for a range of gas densities.Simulations reproduce both Stokes and anti-Stokes shifts in the spectrum of pump laser, similar to those observed in experiments in the spectrum of probe. A good agreement has been achieved with the experiments on the effect of variation in gas density on Stokes/anti-Stokes intensity. In addition, self-injection and trapping of electrons into the self-modulated wakes has been observed and analyzed. Here, the experimentally validated code SPACE will be used for predictive simulations to guide future experiments at BNL ATF.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Plasma assisted growth of MoO{sub 3} films on different substrate locations relative to sublimation source

In the present paper, we reported the role of substrate locations relative to source on the growth of MoO{sub 3} films deposited on Ni coated glass substrates using plasma assisted sublimation process (PASP). According to the XRD and SEM results, substrate location is very crucial factor to control the morphology of MoO{sub 3} films and the best nanostructure growth (in terms of alignments and features) is obtained in case of Sample B (in which substrate is placed on source). The structural results point out that all films exhibit only orthorhombic phase of molybdenum oxide (i.e. α-MoO{sub 3})but the most preferential growth is recorded in Sample B due to the presence of intense peaks crossponding to only (0 k 0) family of crystal planes (k = 2, 4,6..). The Raman analysis again confirms the orthorhombic nature of MoO{sub 3} NFs and details of vibrational bondsin Sample B have been given in the present report. The MoO{sub 3} NFs show intense PL emission in wavelength range of 300-700 nm with three peaks located at 415, 490, and 523 nm in accordance to the improved crystallinity in Sample B.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

Effect of plasma voltage on sulfurization of α-MoO{sub 3} nanostructured thin films

In this report, the effect of plasma voltage on plasma assisted sulfurization (PAS) of vertically aligned molybdenum trioxide (α- MoO{sub 3}) nanoflakes (NFs) on glass substrates has been studied systematically. MoO{sub 3} NFs were deposited using plasma assisted sublimation process. These nanoflakes were subjected to H{sub 2}S/Ar plasma at two different plasma voltages 600 and 1000 volts; to study the effect of plasma ionization on degree of sulfurization of MoO{sub 3} into MoS{sub 2}. XRD and Raman analysis show that film sulfurized at 1000 volts have relatively higher degree of conversion into MoS{sub 2}, as more intense peaks of MoS{sub 2} and MoO{sub 2} are obtained than that sulfurized at 600 volts. HRTEM of sulfurized film shows that outer surface of nanoflake has been converted into MoS{sub 2} (4-5 monolayers). Meanwhile, MoO{sub 3} was reduced into MoO{sub 2} as confirmed by XRD and Raman results. All the observed results are well in consonance with each other.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2016

A comparative study: Effect of plasma on V{sub 2}O{sub 5} nanostructured thin films

Vanadium pentoxide nanostructured thin films (NSTs) have been studied to analyze the effect of plasma on nanostructures grown and morphology of films deposited using sublimation process. Nanostructured thin films were deposited on glass substrates, one in presence of oxygen plasma and other in oxygen environment (absence of plasma). Films were characterized using XRD, Raman spectroscopy, SEM and HRTEM. XRD studies revealed α-V{sub 2}O{sub 5} films (orthorhombic phase) with good crystallinity. However, film deposited in presence of plasma have higher peak intensities as compared to those deposited in absence of plasma. Raman studies also support these finding following same trends of considerable increase in intensity in case of film deposited in presence of plasma. SEM micrographs makes the difference more visible, as film deposited in plasma have well defined plate like structures whereas other film have not-clearly-defined petal-like structures. HRTEM results show orthorhombic phase with 0.39 nm interplanar spacing, as reported by XRD. Results are hereby in good agreement with each other.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Plasma assisted synthesis of vanadium pentoxide nanoplates

In this work, we report the growth of α-V{sub 2}O{sub 5} (orthorhombic) nanoplates on glass substrate using plasma assisted sublimation process (PASP) and Nickel as catalyst. 100 nm thick film of Ni is deposited over glass substrate by thermal evaporation process. Vanadium oxide nanoplates have been deposited treating vanadium metal foil under high vacuum conditions with oxygen plasma. Vanadium foil is kept at fixed temperature growth of nanoplates of V{sub 2}O{sub 5} to take place. Samples grown have been studied using XPS, XRD and HRTEM to confirm the growth of α-phase of V{sub 2}O{sub 5}, which revealed pure single crystal of α- V{sub 2}O{sub 5} in orthorhombic crystallographic plane. Surface morphological studies using SEM and TEM show nanostructured thin film in form of plates. Uniform, vertically aligned randomly oriented nanoplates of V{sub 2}O{sub 5} have been deposited.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Sulfurization of α-MoO{sub 3} nanostructured thin film

In this report, the sulfurization of vertically aligned molybdenum trioxide (α- MoO{sub 3}) nanoflakes (NFs) with high aspect ratio (height/thickness >20) on the nickel coated glass substrates in a mixture of H{sub 2}S and argon gas at atmospheric pressure has been studied. The effect of sulfurization have been investigated to understand the basic reaction mechanism and the morphology, structural properties of grown nanoflakes. XPS and XRD indicate the formation of MoS{sub 2} along with the other intermediate phase such as MoO{sub 2} at temperature 200 °C. The surface morphology of samples have been studied systematically by using scanning electron microscope (SEM). The results demonstrate partial conversion of MoO{sub 3} NFs into MoS{sub 2} along with the change in the morphology of nanoflakes. All the observed results are well in consonance with each other.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Effect of nickel seed layer on growth of α-V{sub 2}O{sub 5} nanostructured thin films

In this communication, we reported the role of Ni seed layer on the growth of vanadium pentoxide (α-V{sub 2}O{sub 5}) nanostructured thin films (NSTs) using plasma assisted sublimation process (PASP). Two different substrates, simple glass substrate and the Ni coated glass substrate (Ni thickness ∼ 100 nm) are employing in the present work. The influence of seed layer on structural, morphological, and vibrational properties have been studied systematically. The structural analysis divulged that both films deposited on simple glass as well as on Ni coated glass shown purely orthorhombic phase, no other phases are detected. The morphological studies of V{sub 2}O{sub 5} film deposited on both substrates are carried out by SEM, revealed that features of V{sub 2}O{sub 5} NSTs is completely modified in presence of Ni seed layer and the film possessing the excellent growth of nanorods (NRs) on Ni coated glass rather than simple glass. The HRTEM analysis of NRs is performed at very high magnification, shows very fine fringe pattern, which confirmed the single crystalline nature of nanorods. The vibrational study of NRs is performed using micro-Raman spectroscopy, which strongly support the XRD observations.

36 MATERIALS SCIENCE↗

DOE OSTI2015

Growth of MoO{sub 3} nanostructured thin films as a function of O{sub 2}-partial pressure

In this report, we synthesized molybdenum trioxide (α-MoO{sub 3}) nanostructured thin films (NST{sub s}) with nanoflakes (NF{sub s}) on the Ni-coated glass substrates employing plasma assisted sublimation process (PASP) as a function of oxygen partial pressure (PO{sub 2}). The effect of oxygen partial pressure on structural, morphological, and vibrational properties have been investigated systematically. The structural analysis divulged that all films deposited at different PO{sub 2} have pure orthorhombic phase, no impurity phase is detected under the limit of resolution. The morphological studies of samples is carried out by SEM, revealed that features as well as alignment of MoO{sub 3} NST{sub s} can be monitored by PO{sub 2} and the sample having best features is obtained at 7.5×10{sup −2} Torr. In addition, the more insight information is accomplished by TEM/HRTEM on the best featured sample, which confirmed the single crystalline nature of nanoflakes. The vibrational study of all samples are performed by FTIR, and strongly supports the XRD observations. All the results are in consonance with each other.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2015

Impression of plasma voltage on growth of α-V{sub 2}O{sub 5} nanostructured thin films

In this communication, we synthesized vanadium pentoxide (α-V{sub 2}O{sub 5}) nanostructured thin films (NST{sub s}) accompanied with nanoflakes/ nanoplates on the Ni-coated glass substrates employing plasma assisted sublimation process (PASP) as a function of plasma voltage (V{sub p}). The effect of plasma voltage on structural, morphological, compositional, and vibrational properties have been studied systematically. The structural analysis divulged that all films deposited at different V{sub p} have pure orthorhombic phase, no impurity phase is detected under resolution limit of XRD and XPS. The morphological studies of samples is carried out by SEM, revealed that features as well as alignment of V{sub 2}O{sub 5} NST{sub s} is greatly monitored by V{sub p} and the film possessing the best features is obtained at 2500volt. In addition, XPS results reveal that V{sup 5+} oxidation state is the most prominent state in sample V{sub 2}, which represents better stoichiometric nature of film. The vibrational study of all samples is performed by FTIR and strongly support the XRD observations. All the results are in consonance with each other.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗