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At least 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

A new portable random number generator wrapper library

Random number generator is an important component of many scientific projects. Many projects are written using programming models (like OpenMP and SYCL) to target different architectures. However, some programming models do not provide a random number generator. In this work, we introduce our random number generator wrapper. It is a header-only library that supports three distributions of random numbers: uniform, normal, and poisson. On the GPU backend, it wraps the cuRAND and rocRAND library, and supports various random number engines. It also wraps random123, a counterbased random number generator, on both CPU and GPU. With this library, we can generate random numbers with a few lines of code and target both GPU and multi-thread CPU with the same code. We also investigate the performance and scalability of this wrapper on different architectures with different engines and the number of cores.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

CaTS: Integration of Geant4 and Opticks

CaTS [6]is an advanced example that is part of Geant4 since version 11.0. It demonstrates the use of Opticks to offload the simulation of optical photons to GPUs. Opticks interfaces with the Geant4 toolkit to collect all the necessary information to generate and trace optical photons, re-implements the optical physics processes to be run on the GPU, and automatically translates the Geant4 geometry into a GPU appropriate format. To trace the photons, Opticks uses NVIDIA OptiX®. In this report, we describe CaTS and the integration of Opticks with Geant4. We demonstrate that the generation and tracing of optical photons represents an ideal application to be offloaded to GPUs, fully utilizing the high degree of available parallelism. In a typical liquid argon TPC simulation, a speedup of several hundred times is observed compared to an equivalent simulation using single threaded Geant4.

Wenzel, Hans↗
DOE OSTI2025

GPU-friendly surface model for Monte-Carlo detector simulations

The demands for Monte-Carlo simulation are drastically increasing with the Large Hadron Collider’s high-luminosity upgrade, and are expected to exceed the currently available compute resources. At the same time, modern high-performance computing has adopted powerful hardware accelerators, particularly GPUs. The AdePT and Celeritas projects aim to address the demanding computational needs by leveraging these heterogeneous computing architectures. While both have successfully ported realistic detector simulations to GPUs using the VecGeom library, the complexity of geometry modeling emerged as a bottleneck. Thread divergence and high register usage were degrading the GPU performance. Therefore, a new, GPU-friendly surface-based model has been introduced in the VecGeom library that decomposes the divergent code of the 3D primitive solids into simpler and more balanced surface algorithms. In this work, we present the latest developments, focusing on the additions required to efficiently model complex setups like the CMS Phase-2 geometry. This includes memory reduction techniques, and adding accelerating structures for faster traversal.

Diederichs, Severin [CERN]↗
DOE OSTI2017

GaSb solar cells grown on GaAs via interfacial misfit arrays for use in the III-Sb multi-junction cell

We present that growth of GaSb with low threading dislocation density directly on GaAs may be possible with the strategic strain relaxation of interfacial misfit arrays. This creates an opportunity for a multijunction solar cell with access to a wide range of well-developed direct bandgap materials. Multijunction cells with a single layer of GaSb/GaAs interfacial misfit arrays could achieve higher efficiency than state-of-the-art inverted metamorphic multi-junction cells while forgoing the need for costly compositionally graded buffer layers. To develop this technology, GaSb single junction cells were grown via molecular beam epitaxy on both GaSb and GaAs substrates to compare homoepitaxial and heteroepitaxial GaSb device results. The GaSb-on-GaSb cell had an AM1.5g efficiency of 5.5% and a 44-sun AM1.5d efficiency of 8.9%. The GaSb-on-GaAs cell was 1.0% efficient under AM1.5g and 4.5% at 44 suns. The lower performance of the heteroepitaxial cell was due to low minority carrier Shockley-Read-Hall lifetimes and bulk shunting caused by defects related to the mismatched growth. A physics-based device simulator was used to create an inverted triple-junction GaInP/GaAs/GaSb model. Lastly, the model predicted that, with current GaSb-on-GaAs material quality, the not-current-matched, proof-of-concept cell would provide 0.5% absolute efficiency gain over a tandem GaInP/GaAs cell at 1 sun and 2.5% gain at 44 suns, indicating that the effectiveness of the GaSb junction was a function of concentration.

14 SOLAR ENERGY↗
DOE OSTI2017

High efficiency low threshold current 1.3 μ m InAs quantum dot lasers on on-axis (001) GaP/Si

We demonstrate highly efficient, low threshold InAs quantum dot lasers epitaxially grown on on-axis (001) GaP/Si substrates using molecular beam epitaxy. Electron channeling contrast imaging measurements show a threading dislocation density of 7.3 × 106 cm−2 from an optimized GaAs template grown on GaP/Si. The high-quality GaAs templates enable as-cleaved quantum dot lasers to achieve a room-temperature continuous-wave (CW) threshold current of 9.5 mA, a threshold current density as low as 132 A/cm2, a single-side output power of 175 mW, and a wall-plug-efficiency of 38.4% at room temperature. As-cleaved QD lasers show ground-state CW lasing up to 80 °C. The application of a 95% high-reflectivity coating on one laser facet results in a CW threshold current of 6.7 mA, which is a record-low value for any kind of Fabry-Perot laser grown on Si.

Jung, Daehwan↗
DOE OSTI2017

Proton irradiation effects on minority carrier diffusion length and defect introduction in homoepitaxial and heteroepitaxial n-GaN [Proton irradiation effects on minority carrier diffusion length and defect introduction in homoepitaxial n-GaN]

Here, inherent advantages of wide bandgap materials make GaN-based devices attractive for power electronics and applications in radiation environments. Recent advances in the availability of wafer-scale, bulk GaN substrates have enabled the production of high quality, low defect density GaN devices, but fundamental studies of carrier transport and radiation hardness in such devices are lacking. Here, we report measurements of the hole diffusion length in low threading dislocation density (TDD), homoepitaxial n-GaN, and high TDD heteroepitaxial n-GaN Schottky diodes before and after irradiation with 2.5 MeV protons at fluences of 4–6 × 10 13 protons/cm 2 . We also characterize the specimens before and after irradiation using electron beam-induced-current (EBIC) imaging, cathodoluminescence, deep level optical spectroscopy (DLOS), steady-state photocapacitance, and lighted capacitance-voltage (LCV) techniques. We observe a substantial reduction in the hole diffusion length following irradiation (50%–55%) and the introduction of electrically active defects which could be attributed to gallium vacancies and associated complexes (V Ga -related), carbon impurities (C-related), and gallium interstitials (Ga i ). EBIC imaging suggests long-range migration and clustering of radiation-induced point defects over distances of ~500 nm, which suggests mobile Ga i . Following irradiation, DLOS and LCV reveal the introduction of a prominent optical energy level at 1.9 eV below the conduction band edge, consistent with the introduction of Ga i .

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

High-efficiency inverted metamorphic 1.7/1.1 eV GaInAsP/GaInAs dual-junction solar cells

Photovoltaic conversion efficiencies of 32.6 +/- 1.4% under the AM1.5 G173 global spectrum, and 35.5 +/- 1.2% at 38-suns concentration under the direct spectrum, are demonstrated for a monolithic, dual-junction 1.7/1.1 eV solar cell. The tandem cell consists of a 1.7 eV GaInAsP top-junction grown lattice-matched to a GaAs substrate, followed by a metamorphic 1.1 eV GaInAs junction grown on a transparent, compositionally graded metamorphic AlGaInAs buffer. This bandgap combination is much closer to the dual-junction optimum and offers headroom for absolute 3% improvement in efficiency, in comparison to the incumbent lattice-matched GaInP/GaAs (~1.86/1.41 eV) solar cells. The challenge of growing a high-quality 1.7 eV GaInAsP solar cell is the propensity for phase separation in the GaInAsP alloy. The challenge of lattice-mismatched GaInAs solar cell growth is that it requires minimizing the residual dislocation density during the growth of a transparent compositionally graded buffer to enable efficient metamorphic tandem cell integration. Transmission electron microscopy reveals relatively weak composition fluctuation present in the 1.7 eV GaInAsP alloy, attained through growth control. The threading dislocation density of the GaInAs junction is ~1 x 10^6 cm-2, as determined from cathodoluminescence measurements, highlighting the quality of the graded buffer. These material advances have enabled the performance of both junctions to reach over 80% of their Shockley-Queisser limiting efficiencies, with both the subcells demonstrating a bandgap-voltage offset, WOC (=Eg/q-VOC), of ~0.39 V.

14 SOLAR ENERGY↗
DOE OSTI2018

InGaP solar cell on Ge-on-Si virtual substrate for novel solar power conversion

InGaP single-junction solar cells are grown on lattice-matched Ge-on-Si virtual substrates using metal-organic chemical vapor deposition. Optoelectronic simulation results indicate that the optimal collection length for InGaP single-junction solar cells with a carrier lifetime range of 2–5 ns is wider than approximately 1 μ m. Electron beam-induced current measurements reveal that the threading dislocation density (TDD) of InGaP solar cells fabricated on Ge and Ge-on-Si substrates is in the range of 10 4 –3 × 10 7 cm -2 . We demonstrate that the open circuit voltage ( V oc ) of InGaP solar cells is not significantly influenced by TDDs less than 2 × 10 6 cm -2 . Fabricated InGaP solar cells grown on a Ge-on-Si virtual substrate and a Ge substrate exhibit V oc in the range of 0.96 to 1.43 V under an equivalent illumination in the range of ~0.5 Sun. Finally, the estimated efficiency of the InGaP solar cell fabricated on the Ge-on-Si virtual substrate (Ge substrate) at room temperature for the limited incident spectrum spanning the photon energy range of 1.9–2.4 eV varies from 16.6% to 34.3%.

14 SOLAR ENERGY↗
DOE OSTI2018

Semiconductor quantum dot lasers epitaxially grown on silicon with low linewidth enhancement factor

This work reports on the ultra-low linewidth enhancement factor (αH-factor) of semiconductor quantum dot lasers epitaxially grown on silicon. Owing to the low density of threading dislocations and resultant high gain, an αH value of 0.13 that is rather independent of the temperature range (288 K–308 K) is measured. Above the laser threshold, the linewidth enhancement factor does not increase extensively with the bias current which is very promising for the realization of future integrated circuits including high performance laser sources.

Duan, J. (ORCID:0000000177104287)↗
DOE OSTI2018

Low-dark current 10 Gbit/s operation of InAs/InGaAs quantum dot p-i-n photodiode grown on on-axis (001) GaP/Si

We demonstrate 10 Gbit/s operation of InAs/InGaAs quantum dot (QD) p-i-n photodiodes (PDs) grown on on-axis (001) GaP/Si substrates. A 3.0 × 50 μm2 QD PD shows a small dark current of 0.2 nA at a bias voltage of −3 V, which corresponds to a dark current density of 0.13 mA/cm2. This low-dark current characteristic obtained from a narrow-stripe device indicates that sidewall and threading dislocations have small effects on the dark current. The 3 dB bandwidth was 5.5 GHz at a bias voltage of −5 V. Large signal measurement with non-return-to-zero signals shows 10 Gbit/s eye opening.

Inoue, D.↗
DOE OSTI2019

The role of transient surface morphology on composition control in AlGaN layers and wells

The mechanisms governing “compositional pulling” during the growth of Al x Ga 1- x N wells are investigated. Gallium-rich Al x Ga 1- x N wells grown on high dislocation density AlN/sapphire templates exhibit asymmetric and diffuse composition profiles, while those grown on low dislocation density native AlN substrates do not. Furthermore, strain in all Al x Ga 1- x N wells is found to be pseudomorphic, ruling it out as the dominating driving force. Rather, the high threading dislocation density of the AlN template is considered to play the defining role. We propose that a transient surface morphology is introduced during dislocation mediated spiral growth, which, in conjunction with process supersaturation, determines the Ga incorporation. Finally, these findings provide insights into compositional pulling in high Ga content Al x Ga 1- x N grown on AlN and provide a route to grow thicker wells with very abrupt interfaces on native AlN substrates.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Topological and electrical properties of capped and annealed (0001) hydride vapor phase epitaxy GaN films on sapphire

In light of the necessity to anneal GaN to activate implanted dopants, the effects of the annealing temperature and time, the quality of the hydride vapor phase epitaxy grown GaN film, the quality of the annealing cap, and the effects of the stresses generated by the difference in the coefficients of thermal expansion of the film and the substrate are examined topographically using atomic force microscopy, and electrical measurements are made on Schottky diodes fabricated on the annealed samples. Here the results show that thermal decomposition begins at threading edge dislocations that form polygonized small angle grain boundaries during the annealing process; donor defects, probably nitrogen vacancies, are formed near the surface; and the donors are created more quickly when the annealing temperature is higher, the annealing time is longer, and the thermal stresses on the annealing cap are greater. The results suggest that the maximum annealing temperature is ~1300 °C, and at that annealing temperature, the annealing time should not exceed 4 min.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Modeling dislocation-related leakage currents in GaN p-n diodes

Finite element analysis software was used to model and visualize two p-n junction models: one with a single threading dislocation (TD) and a control model without a dislocation. TDs are modeled as a Gaussian distribution of trap states with an FWHM of 5 nm localized around the r=0 line in a cylindrical coordination such that the linear trap state density was 1 trap/c-translation; this model allows the cylindrical symmetry of the c-plane GaN crystal orientation to be utilized to avoid more computationally intensive 3D models. It was discovered that the interaction of the charged dislocation region with the p-n junction had many notable effects. At zero bias, it was observed that the depletion region width (using the Depletion Approximation) and the maximum electric field were markedly reduced near the dislocation line. More significantly, an asymmetric reduction in the diffusion barrier for electrons (Vbieff=3.03eV) and holes (Vbieff=0.81eV) was observed due to the asymmetric nature of the dislocation band bending related to the doping. The asymmetric reductions in diffusion barriers persisted into VA=2.4V leakage case where asymmetric current profiles for electrons and holes were also observed. Lastly, the diffusion barrier reduction resulted in an additional Shockley-Read-Hall nonradiative recombination leakage caused by a high np-product and trap state density near the intersection of the dislocation with the junction.

Robertson, C. A. (ORCID:0000000300122262)↗
DOE OSTI2020

The impact of nanoparticle softness on its tracer diffusion coefficient in all polymer nanocomposites

The diffusion of nanoparticles in a polymer matrix is an area of current interest. However, a complete understanding is still limited as it is often difficult to quantify the much slower motion of nanoparticles in a polymer matrix. To combat this problem, we have developed a protocol to measure the diffusion coefficient of soft nanoparticles in a linear polymer matrix. Recently developed synthetic control over soft nanoparticle structures combined with this protocol provides a pathway to separately elucidate the effects of the molecular weight and nanoparticle softness on its diffusive behavior. These results indicate that the nanoparticle softness and deformability dictate its motion. Increasing the cross-linking density of the nanoparticle for all molecular weights increases its hardness and suppresses its motion in the linear matrix. Additionally, the nanoparticle molecular weight dependence deviates from the exponential dependence for star polymers suggesting that these nanoparticles benefit from the cooperative motion of the matrix to open pathways for the nanoparticle. Finally, comparison of these experimentally determined values to the Stokes–Einstein theory demonstrates that the nanoparticles diffuse much slower than a hard sphere. This is interpreted to indicate that there exist additional interactions between the nanoparticle and polymer matrix that are not captured by Stokes–Einstein, including threading or entanglement of the linear chain with the nanoparticle.

Rostom, Sahar↗
DOE OSTI2020

High gain, large area, and solar blind avalanche photodiodes based on Al-rich AlGaN grown on AlN substrates

We demonstrate large area (25 000 μm2) Al-rich AlGaN-based avalanche photodiodes (APDs) grown on single crystal AlN substrates operating with differential (the difference in photocurrent and dark current) signal gain of 100 000 at 90 pW (<1 μW cm−2) illumination with very low dark currents <0.1 pA at room temperature under ambient light. The high gain in large area AlGaN APDs is attributed to a high breakdown voltage at 340 V, corresponding to very high breakdown fields ∼9 MV cm−1 as a consequence of low threading and screw dislocation densities < 103 cm−2. The maximum charge collection efficiency of 30% was determined at 255 nm, corresponding to the bandgap of Al0.65Ga0.35N, with a response of 0.06 A/W. No response was detected for λ > 280 nm, establishing solar blindness of the device.

Reddy, Pramod (ORCID:0000000285561178)↗
DOE OSTI2020

Defects in epitaxial Ru(0001) on Al2O3(0001): Dislocations, stacking faults, and deformation twins

In this study, defects in epitaxial Ru(0001) films on c-plane sapphire, with nominal thicknesses of 10–80 nm, deposited at 350 °C and step-annealed to 950 °C, were characterized using transmission electron microscopy. The variation of Ru and sapphire lattice parameters with temperature is such that the misfit strain for the observed 30° rotated-honeycomb epitaxial relationship is essentially constant with temperature at 1.5%, resulting in a biaxial stress of 10.0 GPa and an energy density of 150 MJ m –3 in unrelaxed films. Stress relaxation occurs by the formation of defects. For the 20–80 nm thick films, the defects are a- and c-type dislocations and stacking faults, argued to be of I 2 type. In addition, the films show the surprising presence of $\{11\bar{2}1\}1/3\langle11\bar{2}\bar{6}\rangle$ deformation twins. The 10 nm-thick films were found to be defect free. The critical thickness for misfit strain relaxation via the formation of threading and misfit dislocations is computed as 7±2 nm, depending on the choice of the dislocation core radius. Energetic analysis of twin formation, using both the infinite-matrix and the finite-matrix (Mori–Tanaka) approaches, provides values of the twin aspect ratios, assumed to be ellipsoidal, and shows that the latter but not the former approach can qualitatively explain the formation of the observed twins. In addition to providing the maximum strain relief compared to other potential twin types, $\{11\bar{2}1\}1/3\langle11\bar{2}\bar{6}\rangle$ twins do not require lattice shuffles and have a boundary that is a special boundary, namely, a 35° tilt boundary with a-type dislocations every other {0002} plane, that may also favor their formation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Using irradiation-induced defects as pinning sites to minimize self-alignment in twisted bilayer graphene

Preparing bi-layer graphene under a magic twisting angle of ~1.1° has been challenging due to its strong tendency for self-alignment. We propose a method to pin graphene layers and minimize their self-rotation when positioned close to each other. The feasibility is demonstrated by the present study using molecular dynamics simulations. C 60 clusters are used to bombard two individual graphene layers, creating damage on both layers. When two irradiated layers are moving closer to each other, defects from irradiation damaged zones can interact with each other, hence acting as pinning sites to immobilize graphene and minimize rotation or gliding. Dangling bonds from defective regions of each plane induce the formation of sp bonds. Upon sliding, the bond is strong enough to induce the formation of one-dimensional carbon single chain, acting as a thread to constrain the relative movements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

High n -type conductivity and carrier concentration in Si-implanted homoepitaxial AlN

We demonstrate Si-implanted AlN with high conductivity (>1 Ω -1 cm -1 ) and high carrier concentration (5 × 101 8 cm -3 ). This was enabled by Si implantation into AlN with a low threading dislocation density (TDD) (<10 3 cm -2 ), a non-equilibrium damage recovery and dopant activation annealing process, and in situ suppression of self-compensation during the annealing. Low TDD and active suppression of V Al -nSi Al complexes via defect quasi Fermi level control enabled low compensation, while low-temperature, non-equilibrium annealing maintained the desired shallow donor state with an ionization energy of ~70 meV. The realized n-type conductivity and carrier concentration are over one order of magnitude higher than that reported thus far and present a major technological breakthrough in doping of AlN.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗