SEARCH · Engineering Papers

Results for “moderation”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,117 records · Page 62

All sources NASA NTRS DOE OSTI

DOE OSTI2024

Mixing of the Connecticut River Plume During Ambient Flood Tides: Spatial Heterogeneity and Contributions of Bottom–Generated and Interfacial Mixing

The Connecticut River plume is influenced by energetic ambient tides in the Long Island Sound receiving waters. The objectives of this modeling study are (a) characterizing the spatial heterogeneity of turbulent buoyancy fluxes, (b) partitioning turbulent buoyancy fluxes into bottom-generated and interfacial shear contributions, and (c) quantifying contributions to plume-integrated mixing within the tidal plume. The plume formed during ambient flood tides under low river discharge, spring tides, and no winds is analyzed. Turbulent buoyancy fluxes (B) and depth-integrated B through the plume (Bd) are characterized by pronounced spatial heterogeneity. Strong mixing (Bd ~ 10 –5 -10 –4 m 3 /s 3 ) occurs near the mouth, in the nearfield plume turning region, over shoals, and nearshore shallow areas. Low to moderate mixing (Bd ~ 10 –8 -10 –6 m 3 /s 3 ) occupies half the plume. Buoyancy fluxes are first partitioned based on the depth of the shear stress minimum between plume-generated and bottom-generated shear maxima. Four other tested partitioning methods are based on open channel flow and stratified shear flow parameterizations. Interfacial and bottom-generated shear contribute to different areas of intense and moderate mixing. All methods indicate a significant plume mixing role for bottom-generated mixing, but interfacial mixing is a bigger contributor. Plume-integrated total and interfacial mixing peak at max ambient flood and the timing of peak bottom-generated mixing varies among partitioning methods. Two-thirds of the mixing occurs in concentrated intense mixing areas. A parameter space with the ambient tidal Froude number and plume thickness to depth ratio as axes indicates many tidally modulated plumes are moderately to dominantly influenced by bottom-generated tidal mixing.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

Active neutron and gamma-ray imaging of highly enriched uranium for treaty verification

The detection and characterization of highly enriched uranium (HEU) presents a large challenge in the non-proliferation field. HEU has a low neutron emission rate and most gamma rays are low energy and easily shielded. To address this challenge, an instrument known as the dual-particle imager (DPI) was used with a portable deuterium-tritium (DT) neutron generator to detect neutrons and gamma rays from induced fission in HEU. We evaluated system response using a 13.7-kg HEU sphere in several configurations with no moderation, high-density polyethylene (HDPE) moderation, and tungsten moderation. A hollow tungsten sphere was interrogated to evaluate the response to a possible hoax item. First, localization capabilities were demonstrated by reconstructing neutron and gamma-ray images. Once localized, additional properties such as fast neutron energy spectra and time-dependent neutron count rates were attributed to the items. For the interrogated configurations containing HEU, the reconstructed neutron spectra resembled Watt spectra, which gave confidence that the interrogated items were undergoing induced fission. The time-dependent neutron count rate was also compared for each configuration and shown to be dependent on the neutron multiplication of the item. This result showed that the DPI is a viable tool for localizing and confirming fissile mass and multiplication.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

Synthesis, crystal and electronic structures, linear and nonlinear optical properties, and photocurrent response of oxyhalides CeHaVIO 4 (Ha = Cl, Br; VI = Mo, W)

Four heteroanionic oxyhalides, CeClMoO 4 , CeBrMoO 4 , CeClWO 4 , and CeBrWO 4 , have been studied as multifunctional materials, which show a combination of good second harmonic generation (SHG) response and photocurrent signals. Millimeter-sized CeHaVIO 4 (Ha = Cl, Br; VI = Mo, W) crystals were grown by halide salt flux. The crystal structure of CeHaVIO 4 crystals was accurately determined by single-crystal X-ray diffraction. CeClMoO 4 , CeBrMoO 4 , and CeBrWO 4 are isostructural to each other, and crystallize in the acentric LaBrMoO 4 structure type. CeClWO 4 crystallizes in a new structure type with unit cell parameters of a = 19.6059(2) Å, b = 5.89450(10) Å, c = 7.80090(10) Å, and β = 101.4746(8)°. The bandgaps of CeHaVIO 4 fall into the range of 2.8(1)–3.1(1) eV, which are much smaller than those of isotypic LaHaVIO 4 (Ha = Cl, Br; VI = Mo, W) in the range of 3.9(1)–4.3(1) eV. The narrowing of bandgaps in CeHaVIO 4 originates from the presence of partially filled 4f orbitals of cerium atoms, which was confirmed by density functional theory (DFT) calculations. The moderate bandgaps make CeHaVIO 4 suitable for infrared nonlinear optical (IR NLO) applications. CeBrMoO 4 and CeBrWO 4 exhibit moderate SHG responses of 0.58× AGS and 0.46× AGS, respectively, and are both type-I phase-matching materials. Moderate SHG response, easy growth of crystals, high ambient stability, and type-I phase-matching behavior make CeBrMoO 4 and CeBrWO 4 great materials for IR NLO applications. CeHaVIO 4 films also exhibited good photocurrent response upon light radiation. Furthermore, this work demonstrates the rich structural chemistry of the REHaVIO 4 (RE = Y, La–Lu; Ha = Cl, Br; VI = Mo, W) family and the potential presence of more multifunctional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

Improving the hot-spot pressure and demonstrating ignition hydrodynamic equivalence in cryogenic deuterium–tritium implosions on OMEGA

Reaching ignition in direct-drive (DD) inertial confinement fusion implosions requires achieving central pressures in excess of 100 Gbar. The OMEGA laser system [T. R. Boehly et al., Opt. Commun. 133, 495 (1997)] is used to study the physics of implosions that are hydrodynamically equivalent to the ignition designs on the National Ignition Facility (NIF) [J. A. Paisner et al., Laser Focus World 30, 75 (1994)]. It is shown that the highest hot-spot pressures (up to 40 Gbar) are achieved in target designs with a fuel adiabat of α ≃ 4, an implosion velocity of 3.8 × 107 cm/s, and a laser intensity of ∼1015 W/cm2. These moderate-adiabat implosions are well understood using two-dimensional hydrocode simulations. The performance of lower-adiabat implosions is significantly degraded relative to code predictions, a common feature between DD implosions on OMEGA and indirect-drive cryogenic implosions on the NIF. Simplified theoretical models are developed to gain physical understanding of the implosion dynamics that dictate the target performance. These models indicate that degradations in the shell density and integrity (caused by hydrodynamic instabilities during the target acceleration) coupled with hydrodynamics at stagnation are the main failure mechanisms in low-adiabat designs. To demonstrate ignition hydrodynamic equivalence in cryogenic implosions on OMEGA, the target-design robustness to hydrodynamic instability growth must be improved by reducing laser-coupling losses caused by cross beam energy transfer.

Goncharov, V. N.↗

DOE OSTI2014

Flavor evolution of supernova neutrinos in turbulent matter

The neutrino signal from the next galactic supernova carries with it an enormous amount of information on the explosion mechanism of a core-collapse supernova, as well as on the stellar progenitor and on the neutrinos themselves. In order to extract this information we need to know how the neutrino flavor evolves over time due to the interplay of neutrino self-interactions and matter effects. Additional turbulence in the supernova matter may impart its own signatures on the neutrino spectrum, and could partly obscure the imprints of collective and matter effects. We investigate the neutrino flavor evolution due to neutrino self-interactions, matter effects due to the shock wave propagation, and turbulence in three progenitors with masses of 8.8 M⊙, 10.8 M⊙ and 18.0 M⊙. In the lightest progenitor we find that the impact of moderate turbulence of the order 10% is limited and occurs only briefly early on. This makes the signatures of collective and matter interactions relatively straightforward to interpret. Similarly, with moderate turbulence the two heavier progenitors exhibit only minor changes in the neutrino spectrum, and collective and matter signatures persists. However, when the turbulence is increased to 30% and 50% the high density matter resonance features in the neutrino spectrum get obscured, while new features arise in the low density resonance channel and in the non-resonant channels. We conclude that with moderate amounts of turbulence spectral features of collective and matter interactions survive in all three progenitors. For the larger amounts of turbulence in the 10.8 M⊙ and 18.0 M⊙ progenitor new features arise, as others disappear.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2014

Carrier accumulation near electrodes in ferroelectric films due to polarization boundary conditions

We study the effect of surface polarization on the distribution of free carriers in a wide bandgap semiconductor ferroelectric (FE) film using a thermodynamic approach. We show that free carriers, namely, holes and electrons from ionizable impurities or atomic vacancies can accumulate near the film-electrode interface, if FE polarization profile has a very steep change near the surface that is specified by the extrapolation length. Such an outcome is just the opposite of what happens in a Schottky junction in a partially or fully depleted film. This is also an entirely different effect than what has been often studied in similar structures, where the work function and screening length of the electrode metal determines the electronic character of the interface. Even for low-to-moderate densities of ionizable defects with states within the bandgap close to the band edges, high densities of carriers can localize close to the electrodes in a single domain state FE film when above a critical thickness. For very low densities of such ionizable defects, short extrapolation lengths cause electrical domain formation with minimal carrier accumulation because of the already weak depolarizing fields. This is also true for films below a critical thickness with low-to-moderate densities of ionizable impurities, i.e., electrical domains get stabilized regardless of defect density. The implications of our findings for polarization controlled Schottky to Ohmic-like transition of an interface and experimental results are discussed. It is also found that interfaces of an n-type FE heterostructure can behave like a p-type depending on the barrier heights and impurity density. We conclude that, for low-to-moderate ionizable impurity densities, it is the rate of change of polarization at the interface with position rather than solely its presence that leads to carrier accumulation and that both interfaces can become Ohmic-like with opposite signs of carriers.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2014

Linear and nonlinear effect of sheared plasma flow on resistive tearing modes

The effect of sheared plasma flow on the m/n = 2/1 tearing mode is studied numerically (m and n are the poloidal and toroidal mode numbers). It is found that in the linear phase the plasma flow with a weak or moderate shear plays a stabilizing effect on tearing mode. However, the mode is driven to be more unstable by sufficiently strong sheared flow when approaching the shear Alfvén resonance (AR). In the nonlinear phase, a moderate (strong) sheared flow leads to a smaller (larger) saturated island width. The stabilization of tearing modes by moderate shear plasma flow is enhanced for a larger plasma viscosity and a lower Alfvén velocity. It is also found that in the nonlinear phase AR accelerates the plasma rotation around the 2/1 rational surface but decelerates it at the AR location, and the radial location satisfying AR spreads inwards towards the magnetic axis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2017

Fission Chain Restart Theory

We present that fast nanosecond timescale neutron and gamma-ray counting can be performed with a (liquid) scintillator array. Fission chains in metal evolve over a timescale of tens of nanoseconds. If the metal is surrounded by moderator, neutrons leaking from the metal can thermalize and diffuse in the moderator. With finite probability, the diffusing neutrons can return to the metal and restart the fast fission chain. The timescale for this restart process is microseconds. A theory describing time evolving fission chains for metal surrounded by moderator, including this restart process, is presented. Finally, this theory is sufficiently simple for it to be implemented for real-time analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2010

XMM-NEWTON OBSERVATIONS OF THREE LOW X-RAY LUMINOSITY GALAXY CLUSTERS

We present new XMM-Newton measurements of the X-ray luminosities (L{sub x}) and temperatures (T{sub x}) for three clusters of galaxies. Two are low L{sub x} (<3 x 10{sup 43} erg s{sup -1}) clusters, RXJ0110.3+1938 (z = 0.317) and RXJ1011.0+5339 (z = 0.329). These clusters were selected from the 160 Square Degree Survey, a survey of extended sources serendipitously discovered in pointed ROSAT observations. The third cluster, KDCS 112, was included by chance in one of our pointings, and is an optically selected cluster from the DEEPRANGE survey. It has a similar redshift and X-ray luminosity as the first two. We estimate the optical richness ({Lambda}{sub cl}) of all three clusters. RXJ1011.0+5339 was missed by DEEPRANGE because it is optically poor. However, KDCS112 was missed in the 160SD even though it is brighter in the X-rays than its neighbor RXJ1011.0+5339, because it fell below the 160SD flux limit. The ROSAT flux of RXJ1011.0+5339 was overestimated due to point-source contamination; it is among the lowest luminosity groups with a known X-ray temperature at moderate redshift. These clusters represent a pilot study to probe the L{sub x} -T{sub x} relation at moderate redshifts and low L{sub x} , a regime where feedback processes may increase the scatter or change the mean L{sub x} -T{sub x} relation. The X-ray luminosities and temperatures of the clusters are consistent with the L{sub x} -T{sub x} relationship in galaxy clusters at low redshift, albeit with large scatter. We place a upper limit on the scatter in the L{sub x} -T{sub x} relation of {approx}0.1 in {delta}log T{sub x} for moderate redshift clusters, similar to that of low-redshift clusters.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2011

CLUSTERED STAR FORMATION IN MAGNETIC CLOUDS: PROPERTIES OF DENSE CORES FORMED IN OUTFLOW-DRIVEN TURBULENCE

We investigate the physical properties of dense cores formed in turbulent, magnetized, parsec-scale clumps of molecular clouds, using three-dimensional numerical simulations that include protostellar outflow feedback. The dense cores are identified in the simulated density data cube through a clumpfind algorithm. We find that the core velocity dispersion does not show any clear dependence on the core size, in contrast to Larson's linewidth-size relation, but consistent with recent observations. In the absence of a magnetic field, the majority of the cores have supersonic velocity dispersions. A moderately strong magnetic field reduces the dispersion to a subsonic or at most transonic value typically. Most of the cores are out of virial equilibrium, with the external pressure dominating the self-gravity. The implication is that the core evolution is largely controlled by the outflow-driven turbulence. Even an initially weak magnetic field can retard star formation significantly, because the field is amplified by the outflow-driven turbulence to an equipartition strength, with the distorted field component dominating the uniform one. In contrast, for a moderately strong field, the uniform component remains dominant. Such a difference in the magnetic structure is evident in our simulated polarization maps of dust thermal emission; it provides a handle on the field strength. Recent polarization measurements show that the field lines in cluster-forming clumps are spatially well ordered. It is indicative of a moderately strong, dynamically important field which, in combination with outflow feedback, can keep the rate of star formation in embedded clusters at the observationally inferred, relatively slow rate of several percent per free-fall time.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2012

THE SDSS-II SUPERNOVA SURVEY: PARAMETERIZING THE TYPE Ia SUPERNOVA RATE AS A FUNCTION OF HOST GALAXY PROPERTIES

Using data from the Sloan Digital Sky Supernova Survey-II (SDSS-II SN Survey), we measure the rate of Type Ia supernovae (SNe Ia) as a function of galaxy properties at intermediate redshift. A sample of 342 SNe Ia with 0.05 < z < 0.25 is constructed. Using broadband photometry and redshifts, we use the PEGASE.2 spectral energy distributions to estimate host galaxy stellar masses and recent star formation rates (SFRs). We find that the rate of SNe Ia per unit stellar mass is significantly higher (by a factor of {approx}30) in highly star-forming galaxies compared to passive galaxies. When parameterizing the SN Ia rate (SNR{sub Ia}) based on host galaxy properties, we find that the rate of SNe Ia in passive galaxies is not linearly proportional to the stellar mass; instead an SNR{sub Ia}{proportional_to}M{sup 0.68} is favored. However, such a parameterization does not describe the observed SNR{sub Ia} in star-forming galaxies. The SNR{sub Ia} in star-forming galaxies is well fitted by SNR{sub Ia} = (0.41 {+-} 0.15) Multiplication-Sign 10{sup -10} M{sup 0.72{+-}0.15} + (0.65 {+-} 0.25) Multiplication-Sign 10{sup -3}SFR{sup 1.01{+-}0.22} (statistical errors only), where M is the host galaxy stellar mass (in M{sub Sun }) and SFR is the SFR (in M{sub Sun} yr{sup -1}). We show that our results, for SNe Ia in passive galaxies, are consistent with those at higher redshifts (favoring SNR{sub Ia}{proportional_to}M) when accounting for the difference in the ages of our galaxies. This suggests that the rate of SNe Ia is correlated with the age of the stellar population. The MLCS extinction parameter, A{sub V} , is similar in passive and moderately star-forming galaxies, but we find indications that it is smaller, on average, in highly star-forming galaxies. This result appears to be driven by a deficit of the reddest (A{sub V} > 0.15) SNe Ia in highly star-forming galaxies. We consider that the high levels of dust in these systems may be obscuring the reddest and faintest SNe Ia.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

NuSTAR and Suzaku X-ray spectroscopy of NGC 4151: Evidence for reflection from the inner accretion disk

We present X-ray timing and spectral analyses of simultaneous 150 ks Nuclear Spectroscopic Telescope Array (NuSTAR) and Suzaku X-ray observations of the Seyfert 1.5 galaxy NGC 4151. We disentangle the continuum emission, absorption, and reflection properties of the active galactic nucleus (AGN) by applying inner accretion disk reflection and absorption-dominated models. With a time-averaged spectral analysis, we find strong evidence for relativistic reflection from the inner accretion disk. We find that relativistic emission arises from a highly ionized inner accretion disk with a steep emissivity profile, which suggests an intense, compact illuminating source. We find a preliminary, near-maximal black hole spin a>0.9 accounting for statistical and systematic modeling errors. We find a relatively moderate reflection fraction with respect to predictions for the lamp post geometry, in which the illuminating corona is modeled as a point source. Through a time-resolved spectral analysis, we find that modest coronal and inner disk reflection (IDR) flux variation drives the spectral variability during the observations. We discuss various physical scenarios for the IDR model and we find that a compact corona is consistent with the observed features.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2018

Implementation of a small-angle scattering model in MCNPX for very cold neutron reflector studies

Current neutron moderator media do not sufficiently moderate neutrons below the cold neutron regime into the very cold neutron (VCN) regime that is desirable for some physics applications. Nesvizhevsky et al [1] have demonstrated that nanodiamond powder efficiently reflect VCN via small angle scattering. He suggests that these effects could be exploited to boost the neutron output of a VCN moderator. Simulation studies of nanoparticle reflectors are being investigated as part of the development of a VCN source option for the SNS second target station. We are pursuing an expansion of the MCNPX code by implementation of an analytical small-angle scattering function [2], which is adaptable by scattering particle sizes, distributions, and packing fractions in order to supplement currently existing scattering kernels. The analytical model and preliminary studies using MCNPX will be discussed.

Grammer, Kyle↗

DOE OSTI2018

Options for a very cold neutron source for the second target station at SNS

Simulation work is underway to identify a very cold neutron source solution that would provide an order of magnitude higher neutron output than the conventional moderator suite. Moderator candidates such as water ice, beryllium, ortho-D2, CH4, and neon all solid at temperatures of 4-6 K were investigated. At present no moderator option was able to achieve the set goal; ortho-D2 and CH4 seem to be the most promising options.

Gallmeier, Franz X.↗

DOE OSTI2013

CAN WE REPRODUCE THE X-RAY BACKGROUND SPECTRAL SHAPE USING LOCAL ACTIVE GALACTIC NUCLEI?

The X-ray background (XRB) is due to the aggregate of active galactic nuclei (AGNs), which peak in activity at z {approx} 1 and is often modeled as the sum of different proportions of unabsorbed, moderately, and heavily absorbed AGN. We present the summed spectrum of a complete sample of local AGN (the Northern Galactic Cap of the 58 month Swift/BAT catalog, z < 0.2) using 0.4-200 keV data and directly determine the different proportions of unabsorbed, moderately and heavily absorbed AGN that make up the summed spectrum. This stacked low redshift AGN spectrum is remarkably similar in shape to the XRB spectrum (when shifted to z {approx} 1), but the observed proportions of different absorption populations differ from most XRB synthesis models. AGN with Compton-thick absorption account for only {approx}12% of the sample, but produce a significant contribution to the overall spectrum. We confirm that Compton reflection is more prominent in moderately absorbed AGN and that the photon index differs intrinsically between unabsorbed and absorbed AGN. The AGN in our sample account for only {approx}1% of the XRB intensity. The reproduction of the XRB spectral shape suggests that strong evolution in individual AGN properties is not required between z {approx} 0 and 1.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Seasonal changes in occupancy and activity patterns in native Collared Peccary and non-native wild pig and Common Warthog in southern Texas, the United States

Abstract Southern Texas, USA, is home to native collared peccaries (Dicotyles tajacu) and introduced populations of invasive wild pigs (generally Sus scrofa × domesticus hybrids) and non-native African warthogs (Phacochoerus africanus). Although these ecologically similar mammals co-occur in this region, the potential impacts of invasive suids on collared peccaries are poorly understood. We examined co-occupancy and activity pattern overlap of collared peccaries, wild pigs, and warthogs across 3 seasons (fall, winter, and spring) using remote camera data collected from Chaparral Wildlife Management Area, Cotulla, Texas (November 2020 to June 2021). Using activity pattern analyses and single and 2-species occupancy models incorporating habitat and climate characteristics, we found evidence of extensive spatial overlap between all species pairs and varying degrees of temporal overlap depending on species pairs and season. Collared peccaries and wild pigs displayed moderate temporal overlap across all seasons. Collared peccaries appeared to alter fall activity in the presence of wild pigs to be active earlier in the morning and less active during the day. Collared peccaries and warthogs had low-to-moderate temporal overlap (low in fall, winter; moderate in spring). Wild pigs and warthogs had low temporal overlap (fall, spring) and wild pigs appeared to alter activity in the presence of warthogs (fall), becoming less active during the day during peak warthog activity. Overall, our results suggest that peccary, wild pig, and warthog interactions and activity are dynamic and vary seasonally according to the ecology and preferred environmental conditions of each species. Given the potential for interspecific competition and disease transmission with Collared Peccary and other native wildlife, resource partitioning between wild pigs and warthogs needs to be further examined to aid in effective management strategies.

Kupferman, Caitlin A. (ORCID:0009000953554860)↗

DOE OSTI2022

At least it is a dry cold: the global distribution of freeze–thaw and drought stress and the traits that may impart poly-tolerance in conifers

Abstract Conifers inhabit some of the most challenging landscapes where multiple abiotic stressors (e.g., aridity, freezing temperatures) often co-occur. Physiological tolerance to multiple stressors (‘poly-tolerance’) is thought to be rare because exposure to one stress generally limits responses to another through functional trade-offs. However, the capacity to exhibit poly-tolerance may be greater when combined abiotic stressors have similar physiological impacts, such as the disruption of hydraulic function imposed by drought or freezing. Here, we reviewed empirical data in light of theoretical expectations for conifer adaptations to drought and freeze–thaw cycles with particular attention to hydraulic traits of the stem and leaf. Additionally, we examined the commonality and spatial distribution of poly-stress along indices of these combined stressors. We found that locations with the highest values of our poly-stress index (PSi) are characterized by moderate drought and moderate freeze–thaw, and most of the global conifer distribution occupies areas of moderate poly-stress. Among traits examined, we found diverse responses to the stressors. Turgor loss point did not correlate with freeze–thaw or drought stress individually, but did with the PSi, albeit inverse to what was hypothesized. Leaf mass per area was more strongly linked with drought stress than the poly-stress and not at all with freeze–thaw stress. In stems, the water potential causing 50% loss of hydraulic conductivity became more negative with increasing drought stress and poly-stress but did not correlate with freeze–thaw stress. For these traits, we identified a striking lack of coverage for substantial portions of species ranges, particularly at the upper boundaries of their respective PSis, demonstrating a critical gap in our understanding of trait prevalence and plasticity along these stress gradients. Future research should investigate traits that confer tolerance to both freeze–thaw and drought stress in a wide range of species across broad geographic scales.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

Diffusion of two-dimensional epitaxial clusters on metal (100) surfaces: Facile versus nucleation-mediated behavior and their merging for larger sizes

For diffusion of two-dimensional homoepitaxial clusters of N atoms on metal(100) surfaces mediated by edge atom hopping, macroscale continuum theory suggests that the diffusion coefficient scales like DN ~ N -β with β = 3/2. However, we find quite different and diverse behavior in multiple size regimes. These include: (i) facile diffusion for small sizes N < 9; (ii) slow nucleation-mediated diffusion with small β < 1 for “perfect” sizes N = N p = L 2 or L(L+1), for L = 3, 4,… having unique ground state shapes, for moderate sizes 9 ≤ N ≤ O(10 2 ); the same also applies for N = N p +3, N p + 4,… (iii) facile diffusion but with large β > 2 for N = Np + 1 and N p + 2 also for moderate sizes 9 ≤ N ≤ O(10 2 ); (iv) merging of the above distinct branches and subsequent anomalous scaling with 1 ≲ β < 3/2, reflecting the quasi-facetted structure of clusters, for larger N = O(10 2 ) to N = O(10 3 ); and (v) classic scaling with β = 3/2 for very large N = O(103) and above. The specified size ranges apply for typical model parameters. We focus on the moderate size regime where show that diffusivity cycles quasi-periodically from the slowest branch for N p + 3 (not Np) to the fastest branch for Np + 1. Behavior is quantified by Kinetic Monte Carlo simulation of an appropriate stochastic lattice-gas model. However, precise analysis must account for a strong enhancement of diffusivity for short time increments due to back-correlation in the cluster motion. Further understanding of this enhancement, of anomalous size scaling behavior, and of the merging of various branches, is facilitated by combinatorial analysis of the number of the ground state and low-lying excited state cluster configurations, and also of kink populations.

36 MATERIALS SCIENCE↗