My last two blogs have discussed misconceptions and misinformation about my early work (1969-72) on H2 and D2. This article begins discussion of later work.
Intermediate Period (1980-83)
I did not wish to spend my entire career working on H2 and D2, so I soon moved on to other problems—including the Pu EOS, the Sesame library, the Panda code, improvements to my liquid model, and the theory of electron correlation.
I revisited the H2-D2 problem in 1980, to examine the effects of changes in my liquid model and to compare with some new experimental data that had appeared in the literature after 1972. These studies were concerned entirely with the molecular fluid. Agreement with the new data was good, and the model changes did not have a major effect on the calculations for H2 and D2. There was no compelling reason to redo the model for dissociation and the metallic fluid, especially since there were still no data to test the model in that regime. Therefore, I did not put out a new EOS table at that time.
This work was discussed in a joint paper with a Los Alamos colleague [J. Chem. Phys. 73, 5264 (1980)], and later in a review article [Molecular-Based Study of Fluids, (ACS, Wash., D.C., 1983), pp 107-138]. The review article, which also discussed calculations for the rare gases, methane, and iron, did give a brief summary of the 1972 D2 EOS work.
Shortly after publication of the review article, someone began using it as the primary reference to “the Sesame EOS,” ignoring the existence of the earlier reports and papers. And those who copy references out of other papers, without reading them, soon began following suit.
One consequence of this incorrect citation, other than shifting the date of origin by a decade, was that certain people started claiming that my 1972 EOS didn’t include the effects of dissociation. Of course, they would have known better if they had actually read the review article, since it explained what had gone into the model. But, as I have already pointed out, most people simply copied the reference into their own papers without reading it.
Fortunately, a couple of Los Alamos scientists recognized that these people had made a mistake, as they pointed out in their own publications. I thank them for that—both for searching out the truth and making an effort to set the record straight. I hope the above discussion straightens the matter out for anybody who still hasn’t gotten the word.
High-Pressure Experiments (1997-2003)
My EOS model predicts the onset of dissociation at ~20 GPa on the D2 Hugoniot. No experimental data to test the EOS in this regime appeared until 1997.
In 1997-98, a group at Livermore used the Nova laser to generate shocks in D2 in the pressure range 25-400 GPa, where dissociation was expected to occur. Those experiments gave shock compressions as much as 45% higher than predicted by my 1972 EOS. Later experiments using the Nike laser at the Naval Research Laboratory gave similar results.
Having virtually ignored my 1972 EOS for 25 years, Livermore now began featuring it in every experimental paper, emphasizing the discrepancy between my prediction and their data. (The EOS that had been generated at Livermore also failed to agree with their data, but they only discussed that fact in their internal laboratory documents, not in their more high-profile published papers.)
The groups at LLNL, NRL, and elsewhere, concluded that the discrepancy was due to inadequacies in my treatment of dissociation. Many theoretical papers also appeared to offer explanations for the discrepancy and to present models that were in better agreement with the laser data.
It is now clear that the problem was with the experimental data, not with my theory. Subsequent Hugoniot measurements, using magnetically-driven flyers generated by the Z-machine at Sandia (2001-03) showed the laser data to be in error and agreed rather well with my 1972 model—better, in fact, than models that had been developed much later. Russian shock data, obtained using a different approach, were also consistent with the Sandia data and my calculations. Ab initio numerical calculations also agree with the Sandia and Russian data.
It is clear that the Nova/Nike measurements are not consistent with an equilibrium response of the material; they either contain systematic errors or non-equilibrium effects that have not yet been identified.
You can refer to my report on H2 and D2, SAND2003-3613, for more information on this matter. I will discuss that and other recent work in my next blog article.
- Jerry Kerley