Travis, Karl P, Dr

Dr Karl P Travis

BSc PhD CChem MRSC

School of Chemical, Materials and Biological Engineering

Reader in Computational Physics and Nuclear Waste Disposal

Exams Officer

Director of Immobilisation Science Laboratory (ISL)

k.travis@sheffield.ac.uk
+44 114 222 5483

Sir Robert Hadfield Building

Full contact details

Dr Karl P Travis
School of Chemical, Materials and Biological Engineering
Sir Robert Hadfield Building
Mappin Street
91ֱ��
S1 3JD

Profile

I joined the Department in 2003 from the University of Bradford, where I was the A. H. Marks Lecturer in Physical Chemistry 2000-2.

Before that, I undertook postdoctoral appointments at Imperial College (with Dr David Nicholson), North Carolina State and Cornell Universities (with Prof Keith Gubbins) and the Australian National University (with Prof Denis Evans).

I obtained both my PhD and BSc in Chemistry from UMIST, where I also won the Reynolds Prize, UMIST´s premier undergraduate prize.

Research interests

My research covers two broad areas:

1) Deep Borehole Disposal of nuclear waste and

2) Computational Physics. The former is of huge societal importance promising a safer, cheaper and quicker solution to the disposal of high activity and high heat generating wastes. The waste issue must be solved before nuclear power can be expanded, and without which the UK will not meet its net zero legal obligations. Computational Physics provides a powerful cross cutting capability over many different disciplines within Engineering. I specialise in developing algorithms (atomistic and continuum) to help understand experimental data, provide mechanistic information and to test theories.

Key research interests:

Alternative Disposal Concepts: Deep Borehole Disposal
Geological disposal of HLW and spent nuclear fuel (SNF) in very deep boreholes is a concept whose time has come. The alternative – disposal in a mined, engineered repository is beset with difficulties not least of which are the constraints placed upon the engineered barriers by the high thermal loading.

The deep borehole concept offers a potentially safer, faster and more cost-effective solution. The deep borehole research group at 91ֱ�� (Travis and Gibb) is at the forefront of international efforts to develop this concept. We are currently working with Sandia National Labs on a program leading to the drilling of pilot borehole in the USA. Our work includes: developing sealing and support matrices, rock welding and deployment mechanisms, and employs a combination of experiment and continuum modelling (Finite differences and Smooth Particle Applied Mechanics).

Behaviour of Materials under extreme conditions
Our main focus here is on wasteform performance. The detrimental effects of self-irradiation (mostly alpha decay) of immobilised radionuclides include: swelling, amorphisation and crack formation in ceramics and de-vitrification in glasses. We use computational methods (mainly molecular dynamics and topological modelling) and statistical mechanics to examine the consequences of alpha recoil damage and understand the recovery pathways in these materials. Recent research is aimed at understanding why some materials have a greater resistance to radiation-induced amorphisation. The use of Smooth Particle Applied Mechanics in understanding how materials fail under mechanical and thermal loading is another area of interest.

Simulation Methodology
Software Packages certainly have a role to play in the Materials Science and Engineering community, but new research often requires new methods of simulation that are not supported by off-the-shelf codes. Developing new simulation methods and codes is a key area of interest for this research group.
Previous research in this area includes the development of configurational thermostats and barostats for molecular simulation and a method which allows an unambiguous determination of the role played by intramolecular flexibility on transport properties of liquids. Recent work in collaboration with Bill and Carol Hoover has led to a new algorithm for simulating Joule-Thomson expansion of gases.

Publications

Journal articles

Ganesh KV, Islam MRI, Kumar Patra P & Patrick Travis K (2023) . Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, 479(2269).
Ganesh KV, Islam MRI, Patra PK & Travis KP (2022) . International Journal of Fatigue, 162.
Ganesh KV, Patra PK & Travis KP (2022) . Physica A: Statistical Mechanics and its Applications, 593, 126903-126903.
Hafskjold B, Travis KP, Hass AB, Hammer M, Aasen A & Wilhelmsen Ø (2019) . Molecular Physics, 117(23-24), 3754-3769.
Travis KP (2018) . Computational Methods in Science and Technology, 3, 265-279.
Galanakis N & Travis KP (2017) . Langmuir, 33(42), 11825-11833.
Collier NC, Milestone NB & Travis KP (2017) . Journal of Materials in Civil Engineering, 29(10).
Collier NC, Balboa HE, Milestone NB & Travis KP (2017) . Advances in Cement Research.
Williams CD, Travis KP, Burton NA & Harding JH (2016) . Microporous and Mesoporous Materials, 228, 215-223.
Collier NC, Milestone NB, Travis KP & Gibb FGF (2016) . Progress in Nuclear Energy, 90, 19-26.
Corkhill CL, Bailey DJ, Tocino FY, Stennett MC, Miller JA, Provis JL, Travis KP & Hyatt NC (2016) . ACS Applied Materials and Interfaces, 8(16), 10562-10571.
Travis KP & Gibb FGF (2015) . MRS Proceedings, 1744, 193-203.
Archer A, Foxhall HR, Allan NL, Gunn DSD, Harding JH, Todorov IT, Travis KP & Purton JA (2014) . Journal of Physics: Condensed Matter, 26(48), 485011-485011.
Williams CD, Burton NA, Travis KP & Harding JH (2014) . Journal of Chemical Theory and Computation, 10(8), 3345-3353.
Beswick AJ, Gibb FGF & Travis KP (2014) . Proceedings of the Institution of Civil Engineers - Energy, 167(2), 47-66.
Travis KP & Hiddleston T (2014) . MOLECULAR SIMULATION, 40(1-3), 141-153.
Foxhall HR, Travis KP & Owens SL (2014) . Journal of Nuclear Materials, 444(1-3), 220-228.
Hoover WG, Hoover CG & Travis KP (2014) . Physical Review Letters, 112(14).
Foxhall HR, Travis KP, Hobbs LW, Rich SC & Owens SL (2013) . Philosophical Magazine, 93(4), 328-355.
Connelly AJ, Hyatt NC, Travis KP, Hand RJ, Stennett MC, Gandy AS, Brown AP & Apperley DC (2013) . Journal of Non-Crystalline Solids, 378, 282-289.
Jivkov AP, Gunther M & Travis KP (2012) . Mineralogical Magazine, 76(8), 2969-2974.
Gibb FGF, Travis KP & Hesketh KW (2012) . Mineralogical Magazine, 76(8), 3003-3017.
Braga C & Travis KP (2012) . J Chem Phys, 137(6), 064116.
Travis KP, Gibb FGF & Hesketh KW (2012) . Materials Research Society Symposium Proceedings, 1475, 391-396.
Foxhall HR, Harding JH & Travis KP (2012) . Materials Research Society Symposium Proceedings, 1475, 577-582.
Gunn DSD, Allan NL, Foxhall H, Harding JH, Purton JA, Smith W, Stein MJ, Todorov IT & Travis KP (2012) . Journal of Materials Chemistry, 22(11), 4675-4680.
Connelly AJ, Hyatt NC, Travis KP, Hand RJ & Maddrell ER (2011) Predicting the preference for charge compensation in silicate glasses. PHYS CHEM GLASSES-B, 52(2), 64-67.
Connelly AJ, Travis KP, Hand RJ, Hyatt NC & Maddrell E (2011) . Journal of the American Ceramic Society, 94(1), 151-159.
Connelly AJ, Travis KP, Hand RJ, Hyatt NC & Maddrell E (2011) Composition-structure relationships in simplified nuclear waste glasses: 1. Mixed alkali borosilicate glasses. Journal of the American Ceramic Society, 94(1), 137-144.
Connelly AJ, Travis KP, Hand RJ, Hyatt NC & Maddrell E (2011) Composition-structure relationships in simplified nuclear waste glasses: 2. the effect of ZrO2 additions. Journal of the American Ceramic Society, 94(1), 151-159.
Connelly AJ, Hyatt NC, Travis KP, Hand RJ, Maddrell ER & Short RJ (2011) . Journal of Non-Crystalline Solids, 357(7), 1647-1656.
Connelly AJ, Travis KP, Hand RJ, Hyatt NC & Maddrell E (2011) Composition-structure relationships in simplified nuclear waste glasses: 1. Mixed alkali borosilicate glasses. Journal of the American Ceramic Society, 94(1), 92-100.
Connelly AJ, Hyatt NC, Travis KP, Hand RJ, Maddrell ER & Short RJ (2011) The structural role of Zr within alkali borosilicate glasses for nuclear waste immobilisation. Journal of Non-Crystalline Solids.
Connelly AJ, Travis KP, Hand RJ, Hyatt NC & Maddrell E (2011) Composition-structure relationships in simplified nuclear waste glasses: 2. the effect of ZrO2 additions. Journal of the American Ceramic Society, 94(1), 78-85.
Whittle M & Travis KP (2010) . J Chem Phys, 132(12), 124906.
Gibb F, Chapman N, Hesketh K & Travis K (2010) Looking down the bore. Nuclear Engineering International, 55(667), 21-22.
Brookes SJ, Searles DJ & Travis KP (2009) . MOL SIMULAT, 35(1-2), 172-185.
Gibb FGF, Travis KP, McTaggart NA & Burley D (2008) . J GEOPHYS RES-SOL EA, 113(B5).
Gibb FGF, McTaggart NA, Travis KP, Burley D & Hesketh KW (2008) . J NUCL MATER, 374(3), 370-377.
Travis KP & Braga C (2008) . J Chem Phys, 128(1), 014111.
Hansen JS, Daivis PJ, Travis KP & Todd BD (2007) . PHYS REV E, 76(4).
Travis KP, Bankhead M, Good K & Owens SL (2007) . J Chem Phys, 127(1), 014109.
Travis KP, McTaggart NA, Gibb FGF & Burley D (2007) Very deep geological disposal of high level radioactive waste: A numerical modelling study. AIChE Annual Meeting, Conference Proceedings.
Travis KP & Searles DJ (2006) . J Chem Phys, 125(16), 164501.
Foreman JP, Porter D, Behzadi S, Travis KP & Jones FR (2006) . J MATER SCI, 41(20), 6631-6638.
Braga C & Travis KP (2006) . J Chem Phys, 124(10), 104102.
Bankhead M, Good K, Owens SL & Travis KP (2006) . American Society of Mechanical Engineers, Pressure Vessels and Piping Division (Publication) PVP, 2006.
McTaggart NA, Gibb FGF, Travis KP, Burley D & Hesketh KW (2006) Modelling temperature distribution around very deep borehole disposals of HLW. Proceedings of the 11th International High Level Radioactive Waste Management Conference, IHLRWM, 2006, 415-421.
Braga C & Travis KP (2005) . J Chem Phys, 123(13), 134101.
Zhou ZW, Todd BD, Travis KP & Sadus RJ (2005) . J CHEM PHYS, 123(5).
Zhang JF, Todd BD & Travis KP (2005) . J CHEM PHYS, 122(21).
Zhang JF, Todd BD & Travis KP (2004) . J CHEM PHYS, 121(21), 10778-10786.
TRAVIS KP (2002) . Molecular Physics, 100(14), 2317-2329.
Travis KP & Gubbins KE (2001) . Molecular Simulation, 27(5-6), 405-439.
Grey TJ, Travis KP, Gale JD & Nicholson D (2001) . Microporous and Mesoporous Materials, 48(1-3), 203-209.
Nicholson D & Travis K (2000) , 257-296.
Travis KP & Gubbins KE (2000) . Molecular Simulation, 25(3-4), 209-227.
Travis KP & Gubbins KE (2000) . The Journal of Chemical Physics, 112(4), 1984-1994.
TRAVIS KP, SEARLES DJ & EVANS DJ (1999) . Molecular Physics, 97(3), 415-422.
Travis KP & Gubbins KE (1999) . Langmuir, 15(18), 6050-6059.
TRAVIS KP, SEARLES DJ & EVANS DJ (1998) . Molecular Physics, 95(2), 195-202.
Travis KP, Todd BD & Evans DJ (1997) . Physica A: Statistical Mechanics and its Applications, 240(1-2), 315-327.
Travis KP & Evans DJ (1996) . Molecular Simulation, 17(3), 157-164.
Daivis PJ, Travis KP & Todd BD (1996) . The Journal of Chemical Physics, 104(23), 9651-9653.
Travis KP, Daivis PJ & Evans DJ (1995) . The Journal of Chemical Physics, 103(3), 1109-1118.
Travis KP, Brown D & Clarke JHR (1995) . The Journal of Chemical Physics, 102(5), 2174-2180.
Travis KP, Daivis PJ & Evans DJ (1995) . The Journal of Chemical Physics, 103(24), 10638-10651.
Travis KP, Brown D & Clarke JHR (1993) . The Journal of Chemical Physics, 98(2), 1524-1530.
Travis KP & Sadus RJ () . The Journal of Physical Chemistry B.
Mallants D, Travis K, Chapman N, Brady PV & Griffiths H () . Energies, 13(4), 833-833.
Archer A, Foxhall HR, Allan NL, Shearer JRW, Gunn DSD, Harding JH, Todorov IT, Travis KP & Purton JA () . Molecular Simulation, 1-11.
Collier NC, Milestone NB & Travis KP () . Energies, 12(12), 2393-2393.
Freeze GA, Stein E, Brady PV, Lopez C, Sassani D, Travis K, Gibb F & Beswick J () . Energies, 12(11), 2141-2141.
Travis KP, Todd BD & Evans DJ () . Physical Review E, 55(4), 4288-4295.
Travis KP & Evans DJ () . Physical Review E, 55(2), 1566-1572.

Chapters

() CRC Press

Conference proceedings papers

Travis KP, Lord C, Golding L, Squires A, Gibb FGF & Burley D (2022) . Proceedings of the International High-Level Radioactive Waste Management Conference, IHLRWM 2022, Embedded with the 2022 ANS Winter Meeting (pp 995-1001)
Collier NC, Pawar SH, Milestone NB & Travis KP (2018) . Advances in Cement Research, Vol. 30(8) (pp 325-336)
Travis KP, Collier NC & Gibb FGF (2016) Deep Borehole Disposal Research at the University of 91ֱ��. Proceedings of the Workshop “Final Disposal in Deep Boreholes Using Multiple Geological Barriers: Digging Deeper for Safety” (pp 175-175). Berlin, Germany
Gibb FGF & Travis KP (2015) Sealing deep borehole disposals of radioactive waste by "rock welding". 15th International High-Level Radioactive Waste Management Conference 2015, IHLRWM 2015 (pp 401-406)
Williams CD, Travis KP, Harding JH & Burton NA (2015) . MRS Proceedings, Vol. 1744 (pp 53-58)
Collier NC, Travis KP, Gibb FGF & Milestone NB (2015) Cementitious grouts for disposal of nuclear wasteforms in deep boreholes. 15th International High-Level Radioactive Waste Management Conference 2015, IHLRWM 2015 (pp 394-400)
Travis KP & Gibb FGF (2015) Deep geological boreholes : A suitable disposal route for the hanford Cs/Sr capsules?. 15th International High-Level Radioactive Waste Management Conference 2015, IHLRWM 2015 (pp 115-121)
Collier NC, Travis KP, Gibb FGF & Milestone NB (2015) . MRS Proceedings, Vol. 1744 (pp 205-210)
Travis KP & Gibb FGF (2015) . Materials Research Society Symposium Proceedings, Vol. 1744 (pp 193-203)
Gibb FGF, Travis KP, McTaggart NA, Burley D & Hesketh KW (2008) Modeling temperature distribution around very deep borehole disposals of HLW. NUCLEAR TECHNOLOGY, Vol. 163(1) (pp 62-73)
Travis KP, McTaggart NA, Gibb FGF & Burley D (2008) A model for predicting the temperature distribution around radioactive waste containers in very deep geological boreholes. SCIENTIFIC BASIS FOR NUCLEAR WASTE MANAGEMENT XXXI, Vol. 1107 (pp 83-90)
Ojovan MI, Travis KP & Hand RJ (2007) . JOURNAL OF PHYSICS-CONDENSED MATTER, Vol. 19(41)
Travis KP & Braga C (2006) . MOLECULAR PHYSICS, Vol. 104(22-24) (pp 3735-3749)

Professional activities and memberships

Adjunct Associate Professor, Swinburne University, Australia
Fellow of The Royal Society of Chemistry (FRSC)