135 research outputs found
The profile of a decaying crystalline cone
The decay of a crystalline cone below the roughening transition is studied.
We consider local mass transport through surface diffusion, focusing on the two
cases of diffusion limited and attachment-detachment limited step kinetics. In
both cases, we describe the decay kinetics in terms of step flow models.
Numerical simulations of the models indicate that in the attachment-detachment
limited case the system undergoes a step bunching instability if the repulsive
interactions between steps are weak. Such an instability does not occur in the
diffusion limited case. In stable cases the height profile, h(r,t), is flat at
radii r<R(t)\sim t^{1/4}. Outside this flat region the height profile obeys the
scaling scenario \partial h/\partial r = {\cal F}(r t^{-1/4}). A scaling ansatz
for the time-dependent profile of the cone yields analytical values for the
scaling exponents and a differential equation for the scaling function. In the
long time limit this equation provides an exact description of the discrete
step dynamics. It admits a family of solutions and the mechanism responsible
for the selection of a unique scaling function is discussed in detail. Finally
we generalize the model and consider permeable steps by allowing direct adatom
hops between neighboring terraces. We argue that step permeability does not
change the scaling behavior of the system, and its only effect is a
renormalization of some of the parameters.Comment: 25 pages, 18 postscript figure
Decay of one dimensional surface modulations
The relaxation process of one dimensional surface modulations is re-examined.
Surface evolution is described in terms of a standard step flow model.
Numerical evidence that the surface slope, D(x,t), obeys the scaling ansatz
D(x,t)=alpha(t)F(x) is provided. We use the scaling ansatz to transform the
discrete step model into a continuum model for surface dynamics. The model
consists of differential equations for the functions alpha(t) and F(x). The
solutions of these equations agree with simulation results of the discrete step
model. We identify two types of possible scaling solutions. Solutions of the
first type have facets at the extremum points, while in solutions of the second
type the facets are replaced by cusps. Interactions between steps of opposite
signs determine whether a system is of the first or second type. Finally, we
relate our model to an actual experiment and find good agreement between a
measured AFM snapshot and a solution of our continuum model.Comment: 18 pages, 6 figures in 9 eps file
Profile scaling in decay of nanostructures
The flattening of a crystal cone below its roughening transition is studied
by means of a step flow model. Numerical and analytical analyses show that the
height profile, h(r,t), obeys the scaling scenario dh/dr = F(r t^{-1/4}). The
scaling function is flat at radii r<R(t) \sim t^{1/4}. We find a one parameter
family of solutions for the scaling function, and propose a selection criterion
for the unique solution the system reaches.Comment: 4 pages, RevTex, 3 eps figure
Novel continuum modeling of crystal surface evolution
We propose a novel approach to continuum modeling of the dynamics of crystal
surfaces. Our model follows the evolution of an ensemble of step
configurations, which are consistent with the macroscopic surface profile.
Contrary to the usual approach where the continuum limit is achieved when
typical surface features consist of many steps, our continuum limit is
approached when the number of step configurations of the ensemble is very
large. The model can handle singular surface structures such as corners and
facets. It has a clear computational advantage over discrete models.Comment: 4 pages, 3 postscript figure
Structure determination of the (1×2) and (1×3) reconstructions of Pt(110) by low-energy electron diffraction
The atomic geometry of the (1×2) and (1×3) structures of the Pt(100) surface has been determined from a low-energy electron-diffraction intensity analysis. Both structures are found to be of the missing-row type, consisting of (111) microfacets, and with similar relaxations in the subsurface layers. In both reconstructions the top-layer spacing is contracted by approximately 20% together with a buckling of about 0.17 Å in the third layer and a small lateral shift of about 0.04 Å in the second layer. Further relaxations down to the fourth layer were detectable. The surface relaxations correspond to a variation of interatomic distances, ranging from -7% to +4%, where in general a contraction of approximately 3% for the distances parallel to the surface occurs. The Pendry and Zanazzi-Jona R factors were used in the analysis, resulting in a minimum value of RP=0.36 and RZJ=0.26 for 12 beams at normal incidence for the (1×2) structure, and similar agreement for 19 beams of the (1×3) structure. The (1×3) structure has been reproducibly obtained after heating the crystal in an oxygen atmosphere of 5×10-6 mbar at 1200 K for about 30 min and could be removed by annealing at 1800 K for 45 min after which the (1×2) structure appeared again. Both reconstructed surfaces are clean within the detection limits of the Auger spectrometer. CO adsorption lifts the reconstruction in both structures. After desorption at 500 K the initial structures appear again, indicating that at least one of the reconstructions does not represent the equilibrium structure of the clean surface and may be stabilized by impurities
How metal films de-wet substrates - identifying the kinetic pathways and energetic driving forces
We study how single-crystal chromium films of uniform thickness on W(110)
substrates are converted to arrays of three-dimensional (3D) Cr islands during
annealing. We use low-energy electron microscopy (LEEM) to directly observe a
kinetic pathway that produces trenches that expose the wetting layer. Adjacent
film steps move simultaneously uphill and downhill relative to the staircase of
atomic steps on the substrate. This step motion thickens the film regions where
steps advance. Where film steps retract, the film thins, eventually exposing
the stable wetting layer. Since our analysis shows that thick Cr films have a
lattice constant close to bulk Cr, we propose that surface and interface stress
provide a possible driving force for the observed morphological instability.
Atomistic simulations and analytic elastic models show that surface and
interface stress can cause a dependence of film energy on thickness that leads
to an instability to simultaneous thinning and thickening. We observe that
de-wetting is also initiated at bunches of substrate steps in two other
systems, Ag/W(110) and Ag/Ru(0001). We additionally describe how Cr films are
converted into patterns of unidirectional stripes as the trenches that expose
the wetting layer lengthen along the W[001] direction. Finally, we observe how
3D Cr islands form directly during film growth at elevated temperature. The Cr
mesas (wedges) form as Cr film steps advance down the staircase of substrate
steps, another example of the critical role that substrate steps play in 3D
island formation
A contiuum model for low temperature relaxation of crystal steps
High and low temperature relaxation of crystal steps are described in a
unified picture, using a continuum model based on a modified expression of the
step free energy. Results are in agreement with experiments and Monte Carlo
simulations of step fluctuations and monolayer cluster diffusion and
relaxation. In an extended model where mass exchange with neighboring terraces
is allowed, step transparency and a low temperature regime for unstable step
meandering are found.Comment: Submitted to Phys.Rev.Let
International comparisons of laboratory values from the 4CE collaborative to predict COVID-19 mortality
Given the growing number of prediction algorithms developed to predict COVID-19 mortality, we evaluated the transportability of a mortality prediction algorithm using a multi-national network of healthcare systems. We predicted COVID-19 mortality using baseline commonly measured laboratory values and standard demographic and clinical covariates across healthcare systems, countries, and continents. Specifically, we trained a Cox regression model with nine measured laboratory test values, standard demographics at admission, and comorbidity burden pre-admission. These models were compared at site, country, and continent level. Of the 39,969 hospitalized patients with COVID-19 (68.6% male), 5717 (14.3%) died. In the Cox model, age, albumin, AST, creatine, CRP, and white blood cell count are most predictive of mortality. The baseline covariates are more predictive of mortality during the early days of COVID-19 hospitalization. Models trained at healthcare systems with larger cohort size largely retain good transportability performance when porting to different sites. The combination of routine laboratory test values at admission along with basic demographic features can predict mortality in patients hospitalized with COVID-19. Importantly, this potentially deployable model differs from prior work by demonstrating not only consistent performance but also reliable transportability across healthcare systems in the US and Europe, highlighting the generalizability of this model and the overall approach
Long-term kidney function recovery and mortality after COVID-19-associated acute kidney injury: An international multi-centre observational cohort study
Background: While acute kidney injury (AKI) is a common complication in COVID-19, data on post-AKI kidney function recovery and the clinical factors associated with poor kidney function recovery is lacking. Methods: A retrospective multi-centre observational cohort study comprising 12,891 hospitalized patients aged 18 years or older with a diagnosis of SARS-CoV-2 infection confirmed by polymerase chain reaction from 1 January 2020 to 10 September 2020, and with at least one serum creatinine value 1–365 days prior to admission. Mortality and serum creatinine values were obtained up to 10 September 2021. Findings: Advanced age (HR 2.77, 95%CI 2.53–3.04, p < 0.0001), severe COVID-19 (HR 2.91, 95%CI 2.03–4.17, p < 0.0001), severe AKI (KDIGO stage 3: HR 4.22, 95%CI 3.55–5.00, p < 0.0001), and ischemic heart disease (HR 1.26, 95%CI 1.14–1.39, p < 0.0001) were associated with worse mortality outcomes. AKI severity (KDIGO stage 3: HR 0.41, 95%CI 0.37–0.46, p < 0.0001) was associated with worse kidney function recovery, whereas remdesivir use (HR 1.34, 95%CI 1.17–1.54, p < 0.0001) was associated with better kidney function recovery. In a subset of patients without chronic kidney disease, advanced age (HR 1.38, 95%CI 1.20–1.58, p < 0.0001), male sex (HR 1.67, 95%CI 1.45–1.93, p < 0.0001), severe AKI (KDIGO stage 3: HR 11.68, 95%CI 9.80–13.91, p < 0.0001), and hypertension (HR 1.22, 95%CI 1.10–1.36, p = 0.0002) were associated with post-AKI kidney function impairment. Furthermore, patients with COVID-19-associated AKI had significant and persistent elevations of baseline serum creatinine 125% or more at 180 days (RR 1.49, 95%CI 1.32–1.67) and 365 days (RR 1.54, 95%CI 1.21–1.96) compared to COVID-19 patients with no AKI. Interpretation: COVID-19-associated AKI was associated with higher mortality, and severe COVID-19-associated AKI was associated with worse long-term post-AKI kidney function recovery. Funding: Authors are supported by various funders, with full details stated in the acknowledgement section
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