As a new beginner, how to learn the software LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator) faster?

01 January 2018 0 3K Report

Badges
Science topic

More Ma Zhaoyang's questions See All

How to illustrate/characterize the deformation (e.g. plastic deformation) after the molecular dynamics simulation (post processing)?

I am currently studying the nanoindentation of solids; currently I can obtain the Young's modulus and hardness of the solid material. However, I wanna observer the deformation process (especially...

11 December 2018 2,742 2 View

Is the attached Rietveld refinement for silica done by TOPAS publishable?

Dear all, I have alpha-quartz powders and I did 3 hours XRD scan for these powders both at 30 degrees Celsius and 450 degrees Celsius (there exists no phase transformation at this temperature)....

06 July 2018 8,956 3 View

How to calculate the thermal expansion coefficient of each mineral in a mineral mixture using TOPAS software?

I want to get the thermal expansion coefficient of each mineral in a rock using high-tempearture X-ray diffraction (XRD); how can we achieve that using TOPAS software, since there will be peak...

04 May 2018 6,250 0 View

In rock engineering, what's the definition of void and what's the relationship between void and fracture?

In rock engineering, what's the definition of void and what's the relationship between void and fracture? For example, if I adopt molecular dynamics simulation to simulate the void in rocks...

02 March 2018 8,467 0 View

What's the relationship between molecular dynamics and lattice dynamics?

In order to gain the thermodynamics, elasticity, phase transitions properties, the molecular dynamics simulation of rock minerals (say crystalline mineral) can be performed and in this process,...

01 February 2018 7,609 3 View

How to generate animation movies using OVITO (scientific data visualization and analysis software for atomistic simulation models)?

How to generate animation movies using OVITO (scientific data visualization and analysis software for atomistic simulation models)? I already performed the molecular dynamics simulation of...

01 February 2018 5,242 3 View

How to characterize the degree of saturation in molecular dynamics simulation?

The impact of degree of saturation on the mechanical and transport properties of clay are still open at microscale, I want to know how to characterize/represent the degree of saturation in...

11 December 2017 1,016 2 View

What does chemical perturbation means?

I read one article and it refers "clays display a significant buffer effect with regard to chemical perturbations. The thickness of the clay that is chemically perturbed by the disposal facility...

11 December 2017 9,648 1 View

Any idea/suggestion about using molecular dynamics simulation about transport and geomechanical fate of proppants?

11 December 2017 1,095 3 View

How to model spherical objects (the magnitude of the object is 0.5-1mm) using molecular dynamics?

I wanna model the proppant placement in the hydraulic fracture using molecular dynamics, but I am the beginner of MD, I read some articles about the modelled shape of research object (mainly,...

11 December 2017 8,300 5 View

Feedback defines the constitution of an organism?

“Here is a thought experiment. Let's place Rodolpho Llinas's jarred-brain on top of a body (Fig. 1). I bet Llinas would argue that his jarred-brain retains its own consciousness, and the android...

11 August 2024 2,483 1 View

Self-Organizing Superorganisms—as envisaged by Nenad Sestan (2018)?

The rate of glucose consumption by the neocortex is reduced by over 80% during anesthesia (Sibson et al. 1998), which disables the synapses (Richards 2002) that are inundated by glial tissue (Engl...

08 August 2024 3,118 0 View

Measuring the Intelligence of a Species?

Larger brains, which typically contain more neurons, store and transfer more information (Tehovnik and Chen 2015), but the precise relationship between number of neurons and information has yet to...

05 August 2024 1,238 2 View

How can i do multivariate Time Series forecast using MLP, ANFIS and LSTM?

I need the python code to forecast what crop production will be in the next decade considering climate and crop production variables as seen in the attached.csv file.

05 August 2024 2,977 3 View

The Curse of Evolution and Complexity?

Brain and body mass together are positively correlated with lifespan (Hofman 1993). The duration of neural development is one of the best predictors of brain size, and conception is the best...

05 August 2024 6,247 3 View

Need help with my research project on open source SIEM and machine learning?

Hello everyone, I am currently working on a research project that aims to integrate machine learning techniques into an open source SIEM tool to automate the creation of security use cases from...

04 August 2024 3,196 2 View

Swimming/space travel depends on the proprioceptive muscle spindles?

When the entire neocortex is ablated in rodents, although they are still able to swim, all the limbs move continuously and asynchronously (Vanderwolf 2006; Vanderwolf et al. 1978). Normal animals...

03 August 2024 835 3 View

What are the limitations and challenges of using machine learning for predicting concrete compressive strength in practical applications?

Machine learning (ML) has shown great potential in predicting the compressive strength of concrete, an important property for structural engineering. However, its practical application comes with...

03 August 2024 2,546 2 View

Some new emerging problems on application of RL for scheduling in IoT networks?

I have seen plenty of existing works on applied Reinforcement Learning (RL) policies for optimized scheduling in IoT networks including Q-learning, DQNs, and the newer ones including PPO for...

01 August 2024 8,754 2 View

How to Compress Information Neurally?

Samuel Morse, the inventor of the Morse Code, understood that certain letters in the English language occurred more frequently than others (Gallistel and King 2010). To deal with this, Morse used...

01 August 2024 4,456 2 View