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181
Interesting Examples of Violation of the Classical Equivalence Principle but Not of the Weak One
Published 2018-01-01“…Keeping in mind that, among the four examples focused on in this work only COW experiment is based on an experimental test, some important details related to it are presented as well.…”
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182
Molecular Generation and Optimization of Molecular Properties Using a Transformer Model
Published 2024-03-01“…Threshold intervals and state changes are then used to encode logD and solubility for subsequent tests. During the experiments, we screen the data based on the proportion of heavy atoms to all atoms in the groups and select 12365, 1503, and 1570 MMPs as the training, validation, and test sets, respectively. …”
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183
Combining machine-learned and empirical force fields with the parareal algorithm: application to the diffusion of atomistic defects
Published 2023-10-01“…This adaptive variant has been originally introduced in [1]. We focus here on test cases of physical interest where the dynamics of the system is modelled by the Langevin equation and is simulated using the molecular dynamics software LAMMPS. …”
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184
An Advanced Microturbine System with Water-Lubricated Bearings
Published 2009-01-01“…Bearing losses and limitations under usage conditions were found from component tests done on the bearings and load tests done on the prototype microturbine. …”
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185
Mixed Ligand Complexes of N-Methyl-N-phenyl Dithiocarbamate: Synthesis, Characterisation, Antifungal Activity, and Solvent Extraction Studies of the Ligand
Published 2015-01-01“…The infrared spectra showed that symmetrical bidentate coordination occurred with the dithiocarbamate moiety through the sulfur atoms, while neutral monodentate coordination occurred through the nitrogen atom for the pyridine molecule in the complexes. …”
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186
Analysis of Stress-Strain Relationship of Earthen Soil Based on Molecular Dynamics
Published 2022-01-01“…The nanostructure model of earthen soil composed of many atoms was established by molecular dynamics (MD) method. …”
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187
Spectroscopic Characterization and Biological Activity of Mixed Ligand Complexes of Ni(II) with 1,10-Phenanthroline and Heterocyclic Schiff Bases
Published 2012-01-01“…Spectral data showed that the 1,10-phenanthroline act as neutral bidentate ligand coordinating to the metal ion through two nitrogen donor atoms and Schiff bases acts as monobasic bidentate coordinating through NO donor atoms. …”
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188
Field‐programmable gate array acceleration of the Tersoff potential in LAMMPS
Published 2025-01-01“…Experimental results show that, when tested on the Xilinx Alveo U200, the proposed accelerator achieves a performance of 9.51 ns/day for the Tersoff simulation in a 55,296‐atom system, which is a 2.00× increase in performance when compared to Intel I7‐8700K and 1.70× to NVIDIA Tesla K40c under the same test case. …”
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189
A DFT study of lithium intercalation and metallization on oxygen-vacancy containing TiO2(110)
Published 2025-03-01“…Two systems with an oxygen di-vacancy are generated and we test the diffusion and the effects of increasing the number of Li in the most stable configurations. …”
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190
Pierre et carrières dans la Saintonge antique : identification, usages et diffusion
Published 2022-12-01“…Any archaeological sample, tested using this process in the hopes of confirming a specific quarry as its place of origin, must, statistically speaking, possess the same discriminating characteristics and fit into the ranges of the graphic synthesis of the quarry in question. …”
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191
Mechanical characterization of austenitic stainless steel under high-level ion-irradiation using nanoindentation experiment and simulation
Published 2025-01-01“…The study examines the effects of high-level irradiation on the mechanical property changes and microstructural evolution of 316 stainless steel (SS) through a combination of nanoindentation tests and simulations. The irradiation conditions involve a targeted dose of approximately 200 displacements per atom (dpa) at 500 °C and transmission electron microscopy is employed to quantify void parameters (diameter, number density, and swelling) in irradiated specimen. …”
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192
Physical-aware model accuracy estimation for protein complex using deep learning method
Published 2025-01-01“…All these results suggest that physical-aware information based on the area and orientation of atom-atom and atom-solvent contacts has the potential to capture sequence-structure-quality relationships of proteins, especially in the case of flexible proteins. …”
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193
Effect of Ozone Combined with 1-MCP on the Color and Quality of Nectarines during Postharvest Storage
Published 2025-02-01“…In order to investigate the effect of ozone regulation on the color and quality changes of nectarine treated with 1-methylcyclopropylene (1-MCP) during cold storage, nectarine test materials were fumigated with 1 μL/L 1-MCP for 24 h after postharvest, combined with ozone water atomization and ozone gas fumigation for 30 min, then packaged and stored at 0±0.5 ℃. …”
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194
STUDYING HOW DIESEL ENGINE ADDITIVES USING SILVER OXIDE (Ag2O) NANOPARTICLES AFFECT THE ENVIRONMENT
Published 2024-07-01“…In experiments, nano additive improved the thermal conductivity, mass dissipation and heat transfer of the test fuels, and resulted in reducing of CO emissions as it provided a higher oxidation rate of hydrocarbon molecules. …”
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195
N-Heterocyclic Germylenes: Structural Characterisation of Some Heavy Analogues of the Ubiquitous N-Heterocyclic Carbenes
Published 2019-01-01“…The major geometrical difference observed, as expected, was the bond angle around the divalent group 14 atom. The N-Ge-N bond angle was 83.6° for compound 2 versus the N-C-N bond angle of 101.4° for IMes. …”
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196
Experimental Investigations on Static, Dynamic, and Morphological Characteristics of Bamboo Fiber-Reinforced Polyester Composites
Published 2022-01-01“…Among the polymers, polyesters are long chain molecules made up of atoms arranged in various ways with other elements to form the basic building blocks of a polymeric chain. …”
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197
Evaluation and mechanism investigations of titanium-fire inclusiveness in aeroengine compressor
Published 2025-01-01“…Under the action of heat transfer, the kinetic energy of the atoms in the base of the titanium alloy cartridge increases rapidly, forming a penetrating liquid phase, and finally causing burn-through, that is, titanium non-inclusiveness failure. …”
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198
Atmospheric cold plasma alters plant traits and negatively affects the growth and development of fall armyworm in rice
Published 2025-01-01“…We then independently tested FAW growth on an artificial diet partially made with PAW. …”
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199
MDFGNN-SMMA: prediction of potential small molecule-miRNA associations based on multi-source data fusion and graph neural networks
Published 2025-01-01“…Moreover, the experimental results of an independent test set confirmed the model’s generalization capability. …”
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200
Novel Organotin(IV) Schiff Base Complexes with Histidine Derivatives: Synthesis, Characterization, and Biological Activity
Published 2013-01-01“…The spectroscopic evidence shows two types of structures: a trigonal bipyramidal stereochemistry with the tin atom coordinated to five donating atoms (two oxygen atoms, one nitrogen atom, and two carbon atoms belonging to the alkyl moieties), where one molecule of ligand is coordinated in a three dentate fashion. …”
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