Why almost every element would be metallized in sufficiently high pressure and low temperature?

(This statement is from wikipedia, BTW). What is so special about metallic bond that is limiting high-P low-T state of a matter (as long as individual atoms exist, not white dwarf of neutron star...

02 March 2021 3,309 2 View

Why Austenite grains in steel show much more twinning than ferrite grains?

It is oftentimes said to be a distinctive metallographic trait that differentiates a fully austenitic and a fully felly ferritic steel without etching that might distinguish between two. Why...

02 March 2021 728 2 View

How Can I bring as much common elements in steel as possible to calculate stable phase(s) in OpenCalphad?

As I was tweaking step-by-step OpenCalphad6 Macros step1.ocm involving phase and thermal property calculation of a High-speed steel, I could not incorporate more than 6 elements in the steel...

01 March 2021 8,840 1 View

How do I refine a specific region of my protein model so that it perfectly superposes with a template peptide PDB with the same sequence?

I have a protein model and want to replace a 12-amino acids-long region within the center of the model with those of a PDB file containing a 12-amino acids long peptide of the same sequence. This...

02 February 2021 779 2 View

For Carbon-emission free steelmaking by electrolysis with nonoxidizable electrode in EAF, what would be electrode material?

While CCS can be employed along with a conventional Carbon-efficient EAF steelmaking process (especially from iron ore) or even Hydrogen or hydrocarbon can bee passed through central electrode,...

30 January 2021 3,378 1 View

What are the factors on which exchange current density of an electrode depends, and how can they be predicted?

While surface roughness is an obvious factor, this is not what is exactly asked. Rather, periodic variation of exchange current density (of an electrode) with solution chemistry (of electrolyte)...

30 January 2021 4,886 5 View

What are the thermodynamic and kinetic similarities and differences among dendrite formation during solidification of metals, ceramics and polymers?

Basic dendrite formation of metallic alloys are explained by thermal and constitutional degree of supercooling and most-supercooled band of liquid somewhat ahead of solidification front that...

30 January 2021 8,450 2 View

Is it possible to economically reuse the heat content of water vapour that is generated during quenching of continuous casting of steel?

A huge amount of water is evaporated to cool down and solidify the liquid metal strands coming out of bottom of CCM mould. The steam contains significant latent and sensible heat energy, besides...

26 January 2021 3,446 4 View

Why it is not permissible to correct all 5 classical optical aberration (spherical, chromatic, coma, astigmatism, curvature of field) simultaneously?

When first order paraxial optics is expanded to third order optics (i.e. sin x~ x-x3/3! instead of sin x~x) , these 5 optical aberrations result in. What is the rigorous mathematical proof that,...

26 January 2021 8,666 4 View

Is it possible to prepare clay minerals by mixing pure oxides of required elements? What would be theoretical difficulties with it?

Practically this is not at all necessary. But theoretically, would hydrous/hydrothermal synthesis be enough (like mix 1 mole alumina gel and 4 mole silica gel and gently heat) or would it require...

26 January 2021 6,403 3 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

MD MOE RMSD

How to calculate the RMSD values for a MD simulation using MOE?

07 August 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

fatal error

When I tried to energy minimization my system, I got fatal error as below. Fatal error: Atomtype opls_116 not found Although I've already added this line: ; include water #include "oplsaa.ff/spc.itp" to [molecultype] directive in my topology.

16 June 2021 0 0 View

What kind of fluid could I use for a pitfall trap that also does not invalidate molecular testing?

Hi, I want to start testing pitfall trap to obtain ants samples, but I need to conduct molecular analysis on those insects. So, what kind of fluid can I use? Ethanol expires too early and I need...

03 March 2021 5,978 5 View

No title

02 March 2021 3,060 3 View

How to repeat an operation on an atom selection for multiple times in PyMol?

Hi, I am trying to construct a multi-layer fibril structure from a single layer in PyMol by translating the layer along the fibril axis. For now, I am able to use the Translate command in PyMol...

02 March 2021 4,569 4 View

New Journal, "Integrative Psychological and Behavioral Science" -- do you not know, and have you not seen, this done before?

Question to you and THEM, the New Journal, "Integrative Psychological and Behavioral Science" -- do you not know, and have you not seen, this done before? There appears to be a core problem for...

02 March 2021 3,024 2 View