Browse
Submit Data
Databases
API
Help

Dataset Information

6 Views

0 Connections

0 Citations

0 Reanalyses

0 Downloads

Omics score: 0

High-throughput screening of the static friction and ideal cleavage strength of solid interfaces.

ABSTRACT: We present a comprehensive ab initio, high-throughput study of the frictional and cleavage strengths of interfaces of elemental crystals with different orientations. It is based on the detailed analysis of the adhesion energy as a function of lateral, ?(x, y), and perpendicular displacements, ?(z), with respect to the considered interface plane. We use the large amount of computed data to derive fundamental insight into the relation of the ideal strength of an interface plane with its adhesion. Moreover, the ratio between the frictional and cleavage strengths is provided as good indicator for the material failure mode - dislocation propagation versus crack nucleation. All raw and curated data are made available to be used as input parameters for continuum mechanic models, benchmarks, or further analysis.

SUBMITTER: Wolloch M

PROVIDER: S-EPMC6863866 | biostudies-literature | 2019 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Json Xml

Publications

High-throughput screening of the static friction and ideal cleavage strength of solid interfaces.

Wolloch Michael M Losi Gabriele G Ferrario Mauro M Righi M Clelia MC

Scientific reports 20191119 1

We present a comprehensive ab initio, high-throughput study of the frictional and cleavage strengths of interfaces of elemental crystals with different orientations. It is based on the detailed analysis of the adhesion energy as a function of lateral, γ(x, y), and perpendicular displacements, γ(z), with respect to the considered interface plane. We use the large amount of computed data to derive fundamental insight into the relation of the ideal strength of an interface plane with its adhesion. ...[more]

PMID: 31745097

Similar Datasets

Analysis of Static Molecular Gradients in a High-Throughput Drug Screening Microfluidic Assay.

Project description:In this study, we thoroughly analyzed molecular gradient generation, its stability over time, and linearity in our high-throughput drug screening microfluidic assay (HTS). These parameters greatly affect the precision and accuracy of the device's analytical protocol. As part of the research, we developed a mathematical model of dependence of the concentration profile on the initial concentrations of active substances in reservoirs and the number of tilts, as well as the dependence of the active substance concentration profiles in the culture chambers on the concentration profile of the reference dye in the indicator chamber. The mean concentration prediction error of the proposed equations ranged from 1.4% to 2.4% for the optimized parameters of the procedure and did not increase with the incubation time. The concentration profile linearity index, Pearson's correlation coefficient reached -0.997 for 25 device tilts. The observed time stability of the profiles was very good. The mean difference between the concentration profile after 5 days of incubation and the baseline profile was only 7.0%. The newly created mathematical relationships became part of the new HTS biochip operating protocols, which are detailed in the article.

| S-EPMC8587427 | biostudies-literature

High-throughput screening for Salmonella avirulent mutants that retain targeting of solid tumors

Project description:Salmonella has a natural ability to target a wide range of tumors in animal models. However, strains used for cancer therapy have generally been selected only for their avirulence rather than tumor-targeting ability. To select Salmonella strains that are avirulent and yet efficient in tumor-targeting, a necessary criteria for clinical applications, we measured the relative fitness of 41,000 Salmonella Typhimurium transposon insertion mutants growing in mouse models of human prostate cancer and melanoma. Two classes of potentially safe mutants were identified. Class 1 mutants showed reduced fitness in normal tissues and unchanged fitness in tumors (e.g., mutants in htrA, SPI-2, and STM3120). Class 2 mutants showed reduced fitness in tumors and normal tissues (e.g., mutants in aroA and aroD). Class 1 mutants are more suitable for delivery of therapeutics for cancer therapy. A library of 41,000 Salmonella mutants containing mini-Tn5 transposon insertions was constructed and pooled. The pool was injected into six human prostate (PC3) and six melanoma (MDA-MB-435) tumors growing subcutaneously in nude mice, and injected intravenously into three tumor-free mice. Bacteria were recovered after two days from tumors and spleens, livers, and lungs of tumor-free mice. During in vivo selection, defective mutants in genes contributing to fitness in the selective environment are lost from the pool. Differences in the mutant pool composition before (input pool) and after selection (output pool) can be detected using microarray hybridization: Transposons were used that carry the T7 promoter sequence, allowing the specific amplification of genomic sequences adjacent to each insertion, which are then mapped on the Salmonella genome using a gene microarray

2010-06-18 | E-GEOD-19609 | biostudies-arrayexpress

Creasing in microscale, soft static friction.

Project description:Utilizing colloidal probe, lateral force microscopy and simultaneous confocal microscopy, combined with finite element analysis, we investigate how a microparticle starts moving laterally on a soft, adhesive surface. We find that the surface can form a self-contacting crease at the leading front, which results from a buildup of compressive stress. Experimentally, creases are observed on substrates that exhibit either high or low adhesion when measured in the normal direction, motivating the use of simulations to consider the role of adhesion energy and interfacial strength. Our simulations illustrate that the interfacial strength plays a dominating role in the nucleation of a crease. After the crease forms, it progresses through the contact zone in a Schallamach wave-like fashion. Interestingly, our results suggest that this Schallamach wave-like motion is facilitated by free slip at the adhesive, self-contacting interface within the crease.

| S-EPMC10126204 | biostudies-literature

High-throughput screening for Salmonella avirulent mutants that retain targeting of solid tumors

2010-03-18 | GSE19609 | GEO

High-throughput screening for salmonella avirulent mutants that retain targeting of solid tumors.

Project description:Salmonella has a natural ability to target a wide range of tumors in animal models. However, strains used for cancer therapy have generally been selected only for their avirulence rather than their tumor-targeting ability. To select Salmonella strains that are avirulent and yet efficient in tumor targeting, a necessary criterion for clinical applications, we measured the relative fitness of 41,000 Salmonella transposon insertion mutants growing in mouse models of human prostate and breast cancer. Two classes of potentially safe mutants were identified. Class 1 mutants showed reduced fitness in normal tissues and unchanged fitness in tumors (e.g., mutants in htrA, SPI-2, and STM3120). Class 2 mutants showed reduced fitness in tumors and normal tissues (e.g., mutants in aroA and aroD). In a competitive fitness assay in human PC-3 tumors growing in mice, class 1 mutant STM3120 had a fitness advantage over class 2 mutants aroA and aroD, validating the findings of the initial screening of a large pool of transposon mutants and indicating a potential advantage of class 1 mutants for delivery of cancer therapeutics. In addition, an STM3120 mutant successfully targeted tumors after intragastric delivery, opening up the oral route as an option for therapy administration.

| S-EPMC4103738 | biostudies-literature

High-Throughput Screening of Solid-State Li-Ion Conductors Using Lattice-Dynamics Descriptors.

Project description:Low lithium-ion migration barriers have recently been associated with low average vibrational frequencies or phonon band centers, further helping identify descriptors for superionic conduction. To further explore this correlation, here we present the computational screening of ?14,000 Li-containing compounds in the Materials Project database using a descriptor based on lattice dynamics reported recently to identify new promising Li-ion conductors. An efficient computational approach was optimized to compute the average vibrational frequency or phonon band center of ?1,200 compounds obtained after pre-screening based on structural stability, band gap, and their composition. Combining a low computed Li phonon band center with large computed electrochemical stability window and structural stability, 18 compounds were predicted to be promising Li-ion conductors, one of which, Li3ErCl6, has been synthesized and exhibits a reasonably high room-temperature conductivity of 0.05-0.3 mS/cm, which shows the promise of Li-ion conductor discovery based on lattice dynamics.

| S-EPMC6581664 | biostudies-literature

High-throughput screening platform for solid electrolytes combining hierarchical ion-transport prediction algorithms.

Project description:The combination of a materials database with high-throughput ion-transport calculations is an effective approach to screen for promising solid electrolytes. However, automating the complicated preprocessing involved in currently widely used ion-transport characterization algorithms, such as the first-principles nudged elastic band (FP-NEB) method, remains challenging. Here, we report on high-throughput screening platform for solid electrolytes (SPSE) that integrates a materials database with hierarchical ion-transport calculations realized by implementing empirical algorithms to assist in FP-NEB completing automatic calculation. We first preliminarily screen candidates and determine the approximate ion-transport paths using empirical both geometric analysis and the bond valence site energy method. A chain of images are then automatically generated along these paths for accurate FP-NEB calculation. In addition, an open web interface is actualized to enable access to the SPSE database, thereby facilitating machine learning. This interactive platform provides a workflow toward high-throughput screening for future discovery and design of promising solid electrolytes and the SPSE database is based on the FAIR principles for the benefit of the broad research community.

| S-EPMC7242435 | biostudies-literature

Novel friction law for the static friction force based on local precursor slipping.

Project description:The sliding of a solid object on a solid substrate requires a shear force that is larger than the maximum static friction force. It is commonly believed that the maximum static friction force is proportional to the loading force and does not depend on the apparent contact area. The ratio of the maximum static friction force to the loading force is called the static friction coefficient µM, which is considered to be a constant. Here, we conduct experiments demonstrating that the static friction force of a slider on a substrate follows a novel friction law under certain conditions. The magnitude of µM decreases as the loading force increases or as the apparent contact area decreases. This behavior is caused by the slip of local precursors before the onset of bulk sliding and is consistent with recent theory. The results of this study will develop novel methods for static friction control.

| S-EPMC4159624 | biostudies-literature

Classical Quantum Friction at Water-Carbon Interfaces.

Project description:Friction at water-carbon interfaces remains a major puzzle with theories and simulations unable to explain experimental trends in nanoscale waterflow. A recent theoretical framework─quantum friction (QF)─proposes to resolve these experimental observations by considering nonadiabatic coupling between dielectric fluctuations in water and graphitic surfaces. Here, using a classical model that enables fine-tuning of the solid's dielectric spectrum, we provide evidence from simulations in general support of QF. In particular, as features in the solid's dielectric spectrum begin to overlap with water's librational and Debye modes, we find an increase in friction in line with that proposed by QF. At the microscopic level, we find that this contribution to friction manifests more distinctly in the dynamics of the solid's charge density than that of water. Our findings suggest that experimental signatures of QF may be more pronounced in the solid's response rather than liquid water's.

| S-EPMC9881168 | biostudies-literature

Static and dynamic friction in sliding colloidal monolayers.

Project description:In a pioneer experiment, Bohlein et al. realized the controlled sliding of two-dimensional colloidal crystals over laser-generated periodic or quasi-periodic potentials. Here we present realistic simulations and arguments that besides reproducing the main experimentally observed features give a first theoretical demonstration of the potential impact of colloid sliding in nanotribology. The free motion of solitons and antisolitons in the sliding of hard incommensurate crystals is contrasted with the soliton-antisoliton pair nucleation at the large static friction threshold F(s) when the two lattices are commensurate and pinned. The frictional work directly extracted from particles' velocities can be analyzed as a function of classic tribological parameters, including speed, spacing, and amplitude of the periodic potential (representing, respectively, the mismatch of the sliding interface and the corrugation, or "load"). These and other features suggestive of further experiments and insights promote colloid sliding to a unique friction study instrument.

| S-EPMC3478638 | biostudies-literature

OmicsDI is part of the ELIXIR infrastructure

OmicsDI is an Elixir interoperability service. Learn more ›

Tweets

OmicsDI Databases

PRIDE
PeptideAtlas
MassIVE
JPOST Repository
Physiome Model Repository

EGA
EVA
ENA
LINCS
PAXDB
Cell Collective

MetaboLights
Metabolomics Workbench
MetabolomeExpress
GNPS
BioModels
FAIRDOMHub

ArrayExpress
dbGaP
ExpressionAtlas
GEO
NODE

Information

Databases
Help
API
Contact us
Code on GitHub
Terms of use
Submit Data