What progress is there in calculating potential energy surfaces (PES)?

I have reviewed some articles of DFT and calculation with Neural Networks, but to what extent it has been possible to calculate PES for complex molecules. With NN there is no physics, but you get...

09 October 2018 2,026 1 View

Are there mathematical models to predict NORM in scales?

There is a variety to predict to some extent the formation of scale of CaCO3(s), BaSO4(s), and forms of CaSO4(s), however when NORM is generated usually species of type Ba(Ra)SO4(s) are...

06 July 2018 2,022 4 View

What book do you recommend to study integral transforms?

I am studying integral transforms (Fourier, Laplace, etc), to apply them in physics problems. However, it is difficult to get books that have enough exercises and their answers. I have found that...

04 May 2018 8,133 41 View

What is the limit of the concentration of radioactivity in Bq/L of Ra - 226 and Ra - 228 in liquid effluents?

If you have oil production waters that will be destined for the environment, what international standards should be followed in the event that you are reaching a river? In drinking-water,...

03 April 2018 197 6 View

What is the best library to build an artificial neural network with Fortran 95 and with Python?

The ANN with a backpropagation algorithm is enough, this ANN will be used under the Fortran 95 and Python languages. Best regards, Ender Araujo.

02 March 2018 6,819 7 View

What are the current research topics in statistical mechanics?

Regards, I would like to know the current trends in statistical mechanics. Where are the research efforts oriented? Ender Araujo

01 February 2017 7,353 4 View

Methodology of software development for scientists (numerical analysis)

Regards, I would like to know if there is a software development methodology for scientific development work. For example for theoretical physics or for theoretical chemistry is there a...

01 February 2017 2,353 0 View

Importance of physical sense in state equations for real gases?

Greetings. I have studied about state equations for mixing real gases. However, I have seen that there is a great quantity of state equations, in conditions of high temperatures and low pressures...

01 January 1970 1,551 3 View

What is the safest laboratory procedure to make solid rocket fuel, using potassium nitrate and sugar?

I would like to start a project for the construction of rockets as a project for high school students. Starting with the development of a solid fuel (KNO3 + sugar) which is the safest method for...

01 January 1970 8,408 17 View

error in running a model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

error in modelling model in Abaqus

Excessive rotation of nodes in node set ErrNodeExcessRotation-Step1

17 August 2021 0 0 View

MGL tools

20 June 2021 0 0 View

How climate change will influences human and animal behavioral change?

The role of climate change influencing the human behavior as well as economics interest

01 June 2021 0 0 View

flexibility of polymers chain

effect of double bond on the flexibility of polymers

07 April 2021 0 0 View

i have some problem with chtMultiRegionSimpleFoam

--> FOAM FATAL ERROR: Maximum number of iterations exceeded From function Foam::scalar Foam::species::thermo::T(Foam::scalar, Foam::scalar, Foam::scalar, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar, Foam::scalar) const, Foam::scalar (Foam::species::thermo::*)(Foam::scalar) const) const [with Thermo = Foam::hConstThermo >; Type = Foam::sensibleEnthalpy; Foam::scalar = double; Foam::species::thermo = Foam::species::thermo >, Foam::sensibleEnthalpy>] in file /home/ubuntu/OpenFOAM/OpenFOAM-4.1/src/thermophysicalModels/specie/lnInclude/thermoI.H at line 66. FOAM aborting #0 Foam::error::printStack(Foam::Ostream&) at ??:? #1 Foam::error::abort() at ??:? #2 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::calculate() at ??:? #3 Foam::heRhoThermo >, Foam::sensibleEnthalpy> > > >::correct() at ??:? #4 ? at ??:? #5 __libc_start_main in "/lib/x86_64-linux-gnu/libc.so.6" #6 ? at ??:?

24 March 2021 0 0 View

Formulation of polymer color flakes

I am writing to request some information for making polymer color flakes. I would appreciate the help.

17 March 2021 0 0 View

What's the best way to measure growth rates in House sparrow chicks from day 2 to day 10?

What's the best way to measure growth rates in House sparrow chicks from day 2 to day 10? Since, the growth curve from day 2 to 10 won't be like the "Logistic curve" it might not follow logistic...

03 March 2021 1,401 3 View

What is the production process of CaFe ferroalloys?

I looking for ferro calcium production process

03 March 2021 1,755 4 View

Resistor definition in Piezoelectric bimorph with ANSYS workbench

Hello, good day! I am trying to simulate similar bimorph piezoelectric harvester with below commands. However, the output power doesn't change with resistor value. Please help to find the reason. ET,10,CIRCU94,0 !SET UP RESISTOR R,1,100000 !RESISTANCE VALUE TYPE,10 !SET ELEMENT TYPE E,1,2 !CREATE RESISTOR BETWEEN NODES 1 AND 2 Thanks in advance Regards,

02 March 2021 0 0 View