Analysis of hypervelocity impacts: The tungsten case

2021 ◽  
Author(s):  
A Fraile ◽  
Prashant Dwivedi ◽  
Giovanni Bonny ◽  
Tomas Polcar
Keyword(s):  
Kinetic Energy ◽  
Interatomic Potential ◽  
Detailed Examination ◽  
Penetration Process ◽  
Damage Initiation ◽  
Crater Size ◽  
Crater Volume ◽  
Parallel Molecular Dynamics ◽  
Dynamics Simulations ◽  
The Impact

Abstract The atomistic mechanisms of damage initiation during high velocity (v up to 9 km/s, kinetic energies up to 200 keV) impacts of W projectiles on a W surface have been investigated using parallel molecular-dynamics simulations involving large samples (up to 40 million atoms). Various aspects of the impact at high velocities, where the projectile and part of the target materials undergo massive plastic deformation, breakup, melting, and vaporization, are analyzed. Different stages of the penetration process have been identified through a detailed examination of implantation, crater size and volume, sputtered atoms, and dislocations created by the impacts. The crater volume increases linearly with the kinetic energy for a given impactor; and the total dislocation length increases with the kinetic energy but depends itself on the size of the impactor. Furthermore, the total dislocation length is less dependent of the fine details of the interatomic potential. The results are rationalized based on the physical properties of bcc W.

scholarly journals The Collection Efficiency of Shielded and Unshielded Precipitation Gauges. Part I: CFD Airflow Modeling

2015 ◽  
Vol 17 (1) ◽  
pp. 231-243 ◽  
Author(s):  
Matteo Colli ◽  
Luca G. Lanza ◽  
Roy Rasmussen ◽  
Julie M. Thériault
Keyword(s):  
Kinetic Energy ◽  
Turbulent Kinetic Energy ◽  
Collection Efficiency ◽  
Time Dependent ◽  
Navier Stokes ◽  
Turbulent Structures ◽  
Wind Speeds ◽  
Tracking Model ◽  
Dynamics Simulations ◽  
The Impact

Abstract The aerodynamic response of snow gauges when exposed to the wind is responsible for a significant reduction of their collection performance. The modifications induced by the gauge and the windshield onto the space–time patterns of the undisturbed airflow deviate the snowflake trajectories. In Part I, the disturbed air velocity field in the vicinity of shielded and unshielded gauge configurations is investigated. In Part II, the airflow is the basis for a particle tracking model of snowflake trajectories to estimate the collection efficiency. A Geonor T-200B gauge inside a single Alter shield is simulated for wind speeds varying from 1 to 8 m s−1. Both time-averaged and time-dependent computational fluid dynamics simulations are performed, based on Reynolds-averaged Navier–Stokes (RANS) and large-eddy simulation (LES) models, respectively. A shear stress tensor k–Ω model (where k is the turbulent kinetic energy and Ω is the turbulent specific dissipation rate) is used for the RANS formulation and solved within a finite-volume method. The LES is implemented with a Smagorinsky subgrid-scale method that models the subgrid stresses as a gradient-diffusion process. The RANS simulations confirm the attenuation of the airflow velocity above the gauge when using a single Alter shield, but the generated turbulence above the orifice rim is underestimated. The intensity and spatial extension of the LES-resolved turbulent region show a dependency on the wind speed that was not detected by the RANS. The time-dependent analysis showed the propagation of turbulent structures and the impact on the turbulent kinetic energy above the gauge collecting section.

scholarly journals A New Method to Determine the Impact of Individual Field Quantities on Cycle-to-Cycle Variations in a Spark-Ignited Gas Engine

Energies ◽  
2021 ◽  
Vol 14 (14) ◽  
pp. 4136
Author(s):  
Clemens Gößnitzer ◽  
Shawn Givler
Keyword(s):  
Kinetic Energy ◽  
Flow Field ◽  
Turbulent Kinetic Energy ◽  
Negative Impact ◽  
Operating Conditions ◽  
Engine Operation ◽  
Gas Engine ◽  
Cycle Simulation ◽  
Simulation Results ◽  
The Impact

Cycle-to-cycle variations (CCV) in spark-ignited (SI) engines impose performance limitations and in the extreme limit can lead to very strong, potentially damaging cycles. Thus, CCV force sub-optimal engine operating conditions. A deeper understanding of CCV is key to enabling control strategies, improving engine design and reducing the negative impact of CCV on engine operation. This paper presents a new simulation strategy which allows investigation of the impact of individual physical quantities (e.g., flow field or turbulence quantities) on CCV separately. As a first step, multi-cycle unsteady Reynolds-averaged Navier–Stokes (uRANS) computational fluid dynamics (CFD) simulations of a spark-ignited natural gas engine are performed. For each cycle, simulation results just prior to each spark timing are taken. Next, simulation results from different cycles are combined: one quantity, e.g., the flow field, is extracted from a snapshot of one given cycle, and all other quantities are taken from a snapshot from a different cycle. Such a combination yields a new snapshot. With the combined snapshot, the simulation is continued until the end of combustion. The results obtained with combined snapshots show that the velocity field seems to have the highest impact on CCV. Turbulence intensity, quantified by the turbulent kinetic energy and turbulent kinetic energy dissipation rate, has a similar value for all snapshots. Thus, their impact on CCV is small compared to the flow field. This novel methodology is very flexible and allows investigation of the sources of CCV which have been difficult to investigate in the past.

scholarly journals Self-Secondaries Formed by Cold Spot Craters on the Moon

2021 ◽  
Vol 13 (6) ◽  
pp. 1087
Author(s):  
Yiren Chang ◽  
Zhiyong Xiao ◽  
Yang Liu ◽  
Jun Cui
Keyword(s):  
Systematic Investigation ◽  
Impact Craters ◽  
Spatial Density ◽  
Cold Spot ◽  
The Moon ◽  
Potential Threat ◽  
Frequency Distributions ◽  
Crater Size ◽  
The Impact ◽  
Density Pattern

Self-secondaries are a population of background secondaries, and they have been observed on top of impact melt and ballistically emplaced ejecta deposits on various planetary bodies. Self-secondaries are formed by impacts of sub-vertically launched ejecta, but the launch mechanism is not confirmed. The potential threat of self-secondaries to the theoretical and applicable reliability of crater chronology has been noted, but not constrained. Hitherto discovered self-secondaries were located around complex impact craters, but their potential existence around simple craters has not been discovered. Here we report the first discovery of self-secondaries around lunar cold spot craters, which are an extremely young population of simple craters formed within the past ~1 million years on the Moon. Self-secondaries are widespread on layers of cascading flow-like ejecta deposits around cold spot craters. The spatial density of self-secondaries dwarfs that of potential primary craters. The spatial distribution of self-secondaries is highly heterogeneous across the ejecta deposits. With respect to the impactor trajectory that formed cold spot craters, self-secondaries formed at the downrange of the ejecta deposits have the largest spatial density, while those at the uprange have the smallest density. This density pattern holds for all cold spot craters that were formed by non-vertical impacts, but self-secondaries do not exhibit other systematic density variations at different radial distances or at other azimuths with respect to the impactor trajectory. Among known mechanics of ejecting materials to the exterior of impact craters, impact spallation is the most likely scenario to account for the required large ejection velocities and angles to form self-secondaries. The production population of self-secondaries is estimated based on the highly diverse crater size-frequency distributions across the ejecta deposits of cold spot craters. For a better understanding of the impact history on the Moon, a systematic investigation for the effect of self-secondaries on lunar crater chronology is required.

scholarly journals Development of a New Sr-O Parameterization to Describe the Influence of SrO on Iron-Phosphate Glass Structural Properties Using Molecular Dynamics Simulations

Materials ◽  
2021 ◽  
Vol 14 (15) ◽  
pp. 4326
Author(s):  
Pawel Goj ◽  
Aleksandra Wajda ◽  
Pawel Stoch
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Interatomic Potential ◽  
Glass Structure ◽  
Ion Pairs ◽  
Glass Network ◽  
Iron Phosphate ◽  
Phosphate Glasses ◽  
Potential Applications ◽  
Dynamics Simulations

Iron-phosphate glasses, due to their properties, have many potential applications. One of the most promising seems to be nuclear waste immobilization. Radioactive 90Sr isotope is the main short-lived product of fission and, due to its high solubility, it can enter groundwater and pose a threat to the environment. On the other hand, Sr is an important element in hard tissue metabolic processes, and phosphate glasses containing Sr are considered bioactive. This study investigated the effect of SrO addition on a glass structure of nominal 30Fe2O3-70P2O5 chemical composition using classical molecular dynamics simulations. To describe the interaction between Sr-O ion pairs, new interatomic potential parameters of the Buckingham-type were developed and tested for crystalline compounds. The short-range structure of the simulated glasses is presented and is in agreement with previous experimental and theoretical studies. The simulations showed that an increase in SrO content in the glass led to phosphate network depolymerization. Analysis demonstrated that the non-network oxygen did not take part in the phosphate network depolymerization. Furthermore, strontium aggregation in the glass structure was observed to lead to the non-homogeneity of the glass network. It was demonstrated that Sr ions prefer to locate near to Fe(II), which may induce crystallization of strontium phosphates with divalent iron.

Molecular Dynamics Study of Ion Impact Phenomena and Compressive Stress in Thin Films

1993 ◽  
Vol 317 ◽  
Author(s):  
N.A. Marks ◽  
P. Guan ◽  
D.R. Mckenzie ◽  
B.A. PailThorpe
Keyword(s):  
Molecular Dynamics ◽  
Three Dimensional ◽  
Carbon Films ◽  
Loss Mechanism ◽  
Ion Energy ◽  
Lennard Jones ◽  
Impact Phenomena ◽  
Ion Impact ◽  
Dynamics Simulations ◽  
The Impact

ABSTRACTMolecular dynamics simulations of nickel and carbon have been used to study the phenomena due to ion impact. The nickel and carbon interactions were described using the Lennard-Jones and Stillinger-Weber potentials respectively. The phenomena occurring after the impact of 100 e V to 1 keV ions were studied in the nickel simulations, which were both two and three-dimensional. Supersonic focussed collision sequences (or focusons) were observed, and associated with these focusons were unexpected sonic bow waves, which were a major energy loss mechanism for the focuson. A number of 2D carbon films were grown and the stress in the films as a function of incident ion energy was Measured. With increasing energy the stress changed from tensile to compressive and reached a maximum around 50 eV, in agreement with experiment.

The EU as an “enforcement patchwork”: the impact of national enforcement for compliance with EU water law in Spain and Britain

2013 ◽  
Vol 34 (2) ◽  
pp. 331-353 ◽  
Author(s):  
Mónica García Quesada
Keyword(s):  
Waste Water Treatment ◽  
National Level ◽  
State Level ◽  
Detailed Examination ◽  
Deterrent Effect ◽  
Eu Law ◽  
Wide Range ◽  
The Uk ◽  
The Impact ◽  
The Eu

AbstractFailures of compliance with European Union (EU) directives have revealed the EU as a political system capable of enacting laws in a wide range of different policy areas, but facing difficulties to ensure their actual implementation. Although the EU relies on national enforcement agencies to ensure compliance with the EU legislation, there is scarce analysis of the differential deterrent effect of national enforcement in EU law compliance. This article examines the enforcement of an EU water directive, the Urban Waste Water Treatment Directive, in Spain and the UK. It focuses on the existing national sanctions for disciplining actors in charge of complying with EU requirements, and on the actual use of punitive sanctions. The analysis shows that a more comprehensive and active disciplinary regime at the national level contributes to explain a higher degree of compliance with EU law. The article calls for a detailed examination of the national administrative and criminal sanction system for a more comprehensive understanding of the incentives and disincentives to comply with EU law at the national state level.

scholarly journals Exploiting correlated molecular-dynamics networks to counteract enzyme activity–stability trade-off

2018 ◽  
Vol 115 (52) ◽  
pp. E12192-E12200 ◽  
Author(s):  
Haoran Yu ◽  
Paul A. Dalby
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Active Site ◽  
Dynamic Networks ◽  
Aromatic Aldehydes ◽  
Active Site Residues ◽  
Trade Off ◽  
Highly Correlated ◽  
Dynamics Simulations ◽  
The Impact

The directed evolution of enzymes for improved activity or substrate specificity commonly leads to a trade-off in stability. We have identified an activity–stability trade-off and a loss in unfolding cooperativity for a variant (3M) of Escherichia coli transketolase (TK) engineered to accept aromatic substrates. Molecular dynamics simulations of 3M revealed increased flexibility in several interconnected active-site regions that also form part of the dimer interface. Mutating the newly flexible active-site residues to regain stability risked losing the new activity. We hypothesized that stabilizing mutations could be targeted to residues outside of the active site, whose dynamics were correlated with the newly flexible active-site residues. We previously stabilized WT TK by targeting mutations to highly flexible regions. These regions were much less flexible in 3M and would not have been selected a priori as targets using the same strategy based on flexibility alone. However, their dynamics were highly correlated with the newly flexible active-site regions of 3M. Introducing the previous mutations into 3M reestablished the WT level of stability and unfolding cooperativity, giving a 10.8-fold improved half-life at 55 °C, and increased midpoint and aggregation onset temperatures by 3 °C and 4.3 °C, respectively. Even the activity toward aromatic aldehydes increased up to threefold. Molecular dynamics simulations confirmed that the mutations rigidified the active-site via the correlated network. This work provides insights into the impact of rigidifying mutations within highly correlated dynamic networks that could also be useful for developing improved computational protein engineering strategies.

Relation Between Flow Velocity and Impact Pressure in a Green Water Flow

2013 ◽  
Author(s):  
Kusalika Ariyarathne ◽  
Kuang-An Chang ◽  
Richard Mercier
Keyword(s):  
Kinetic Energy ◽  
Void Fraction ◽  
Pressure Rise ◽  
Impact Pressure ◽  
Breaking Wave ◽  
Wave Condition ◽  
Wall Impingement ◽  
Impact Coefficient ◽  
The Impact ◽  
Mean Kinetic Energy

Impact pressure due to plunging breaking waves impinging on a simplified model structure was investigated in the laboratory based on two breaking wave conditions: the wall impingement wave condition and the deck impingement wave condition. Pressure, void fraction, and velocities were measured at various locations on the deck surface. Impact pressure was correlated with the mean kinetic energy calculated based on the measured mean velocities and void fraction to obtain the impact coefficient. For the wall impingement wave condition, the relationship between impact pressure and mean kinetic energy is linear with the impact coefficient close to unity. For the deck impingement wave condition, the above relationship does not show good correlation, whereas the impact coefficient was found to be a function of the rate of pressure rise.

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